5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-

HCID 10733729CAS 137975-89-4

Basic information

Standard SMILES
O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIKey
KUCBNTWUKOGPPC-UHFFFAOYSA-N
Molecular formula
C17H14N2O4
Average molar mass
310.3 g/mol
Monoisotopic mass
310.09535693

Names & identifiers

Preferred name
5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-
IUPAC
1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one

Names & synonyms

137975-89-41-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-SCHEMBL6990464DTXSID40444161KUCBNTWUKOGPPC-UHFFFAOYSA-NFK-07211,2,3,4-tetrahydro-1(4-nitrobenzoyl)-5H-1benzazepin-5-one1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro1H-1-benzazepin-5-one1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one1-(4-Nitrobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

Database identifiers

CAS
137975-89-4
PubChem CID
10733729
DTXSID
DTXSID40444161

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
83.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
23

Related reactions

36 records

Linked notes

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