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

Systemtic Name: methyl (2R)-2-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H19N5O5 MolecularWeight: 433.41676

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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)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5/c1-32-22(29)18(10-15-12-24-17-5-3-2-4-16(15)17)25-21(28)14-6-7-19(20(11-14)27(30)31)26-9-8-23-13-26/h2-9,11-13,18,24H,10H2,1H3,(H,25,28)/t18-/m1/s1