methyl 2-[[4-[4-[(4-nitrophenyl)amino]butanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[4-[(4-nitrophenyl)amino]butanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[4-(4-nitroanilino)butanoylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[4-(4-nitroanilino)-1-oxobutyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[4-(4-nitroanilino)butanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[4-(4-nitroanilino)butanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-30-19(26)13-22-20(27)14-4-6-16(7-5-14)23-18(25)3-2-12-21-15-8-10-17(11-9-15)24(28)29/h4-11,21H,2-3,12-13H2,1H3,(H,22,27)(H,23,25)