ethyl (2R)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2R)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxo-acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-(5-nitro-1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-keto-2-(5-nitro-1H-indol-3-yl)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-2-30-21(27)18(10-13-6-4-3-5-7-13)23-20(26)19(25)16-12-22-17-9-8-14(24(28)29)11-15(16)17/h3-9,11-12,18,22H,2,10H2,1H3,(H,23,26)/t18-/m1/s1