[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H16ClN3O6 MolecularWeight: 429.81054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6/c1-11-19(15-4-2-3-5-16(15)23-11)17(25)10-30-18(26)9-22-20(27)12-6-13(21)8-14(7-12)24(28)29/h2-8,23H,9-10H2,1H3,(H,22,27)