methyl (2R)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-31-22(28)19(10-14-12-23-17-5-3-2-4-16(14)17)25-21(27)13-6-9-18(24-15-7-8-15)20(11-13)26(29)30/h2-6,9,11-12,15,19,23-24H,7-8,10H2,1H3,(H,25,27)/t19-/m1/s1