(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) 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)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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