[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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