ethyl 3-[(2-methylquinolin-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-methylquinolin-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2-methyl-4-quinolyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methyl-4-quinolinyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylquinolin-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-4-quinolyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=NC3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=NC3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-3-28-20(25)14-9-13(10-15(11-14)23(26)27)19(24)22-18-8-12(2)21-17-7-5-4-6-16(17)18/h4-11H,3H2,1-2H3,(H,21,22,24)