methyl 4-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbonylamino]butanoate Openeye Name: methyl 4-(1H-indol-3-yl)-2-[(4-nitrobenzoyl)amino]butanoate CAS Name: 4-(1H-indol-3-yl)-2-[[(4-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(1H-indol-3-yl)-2-[(4-nitrobenzoyl)amino]butanoate Traditional Name: 4-(1H-indol-3-yl)-2-[(4-nitrobenzoyl)amino]butyric acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-28-20(25)18(11-8-14-12-21-17-5-3-2-4-16(14)17)22-19(24)13-6-9-15(10-7-13)23(26)27/h2-7,9-10,12,18,21H,8,11H2,1H3,(H,22,24)