[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-1-[(4-nitrophenyl)carbamoyl]propyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(4-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(4-nitroanilino)-1-oxobutan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-1-[(4-nitrophenyl)carbamoyl]propyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H19N3O5/c1-3-19(20(25)23-14-8-10-15(11-9-14)24(27)28)29-21(26)17-12-13(2)22-18-7-5-4-6-16(17)18/h4-12,19H,3H2,1-2H3,(H,23,25)/t19-/m1/s1