Methyl 3-carbamoyl-5-nitrobenzoate

HCID 3741295

Notes Reactions

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Basic information

CAS: 50826-00-1
Standard SMILES: COC(=O)c1cc(C(N)=O)cc([N+](=O)[O-])c1
InChIKey: FUXUMOOJLAEGAX-UHFFFAOYSA-N
Molecular formula: C9H8N2O5
Average molar mass: 224.17 g/mol
Monoisotopic mass: 224.04332136

Names & identifiers

Preferred name: Methyl 3-carbamoyl-5-nitrobenzoate
IUPAC: methyl 3-carbamoyl-5-nitrobenzoate

Names & synonyms

methyl 3-carbamoyl-5-nitrobenzoate50826-00-1methyl 5-carbamoyl-3-nitrobenzoateOprea1_658256SCHEMBL39366DTXSID303957993-Methoxycabonyl-5-nitrobenzamideFUXUMOOJLAEGAX-UHFFFAOYSA-Nmethyl-3-carbamoyl-5-nitrobenzoateSTK395669AKOS003593230HS-4253

Show more names

5-Nitro-isophthalamic acid methyl esterDB-319943ST51058320

Database identifiers

CAS: 50826-00-1
PubChem CID: 3741295
DTXSID: DTXSID30395799

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 312

Related reactions

6 records

New reaction record

HRID 251827As productuspto-grants-2011_01

HRID 964485As productuspto-grants-1998_06

HRID 964486As reactantuspto-grants-1998_06

HRID 964488As productuspto-grants-1998_06

HRID 964489As reactantuspto-grants-1998_06

HRID 2161900As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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