methyl 4-[2-[(4-azanyl-3-nitro-phenyl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(4-azanyl-3-nitro-phenyl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(4-amino-3-nitro-benzoyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(4-amino-3-nitrophenyl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-amino-3-nitrobenzoyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(4-amino-3-nitro-benzoyl)amino]ethyl]benzoic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-25-17(22)12-4-2-11(3-5-12)8-9-19-16(21)13-6-7-14(18)15(10-13)20(23)24/h2-7,10H,8-9,18H2,1H3,(H,19,21)