N-(7-(Diethylamino)-4-methyl-2-oxo-2H-chromen-6-yl)-3,5-bis(hydroxy(oxido)amino)benzamide

HCID 348707

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Basic information

CAS: 7596-09-0
Standard SMILES: CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIKey: GEMNJEVJDBZWPO-UHFFFAOYSA-N
Molecular formula: C21H20N4O7
Average molar mass: 440.4 g/mol
Monoisotopic mass: 440.13319899

Names & identifiers

Preferred name: N-(7-(Diethylamino)-4-methyl-2-oxo-2H-chromen-6-yl)-3,5-bis(hydroxy(oxido)amino)benzamide
IUPAC: N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide
English name: N-(7-diethylamino-4-methyl-2-oxo-chromen-6-yl)-3,5-dinitro-benzamide
Molecular formula: C21H20N4O7
Molecular weight: 0

Names & synonyms

7596-09-0N-(7-(Diethylamino)-4-methyl-2-oxo-2H-chromen-6-yl)-3,5-bis(hydroxy(oxido)amino)benzamideNSC408161NSC 408161NSC-408161GTT3KUR8SADTXSID50226859N-[7-(diethylamino)-4-methyl-2-oxo-chromen-6-yl]-3,5-dinitro-benzamideBenzamide, N-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]-3,5-dinitro-N-[7-(Diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]-3,5-dinitrobenzamideN-(7-diethylamino-4-methyl-2-oxo-chromen-6-yl)-3,5-dinitro-benzamide

Database identifiers

CAS: 7596-09-0
PubChem CID: 348707
DTXSID: DTXSID50226859
UNII: GTT3KUR8SA

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 150 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 764

Physicochemical properties

FDA UNII: 3 KUR8SA · GTT3KUR8SA

Chemistry & industry

Suppliers1 total

上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]

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