methyl 6-[(3-nitro-4-phenylazanyl-phenyl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(3-nitro-4-phenylazanyl-phenyl)carbonylamino]hexanoate Openeye Name: methyl 6-[(4-anilino-3-nitro-benzoyl)amino]hexanoate CAS Name: 6-[[(4-anilino-3-nitrophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-anilino-3-nitrobenzoyl)amino]hexanoate Traditional Name: 6-[(4-anilino-3-nitro-benzoyl)amino]hexanoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-28-19(24)10-6-3-7-13-21-20(25)15-11-12-17(18(14-15)23(26)27)22-16-8-4-2-5-9-16/h2,4-5,8-9,11-12,14,22H,3,6-7,10,13H2,1H3,(H,21,25)