[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19N3O5/c1-14-5-4-8-18(24(27)28)21(14)23-19(25)13-29-20(26)12-11-16-10-9-15-6-2-3-7-17(15)22-16/h2-10H,11-13H2,1H3,(H,23,25)