[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-nitrophenyl)amino]propanoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-nitrophenyl)amino]propanoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(2-nitroanilino)propanoate CAS Name: 3-(2-nitroanilino)propanoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2-nitroanilino)propanoate Traditional Name: 3-(2-nitroanilino)propionic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-13-20(15-7-3-4-8-16(15)23-13)21(26)14(2)29-19(25)11-12-22-17-9-5-6-10-18(17)24(27)28/h3-10,14,22-23H,11-12H2,1-2H3