ethyl 5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-methyl-3,5-dinitro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methyl-3,5-dinitrobenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(4-methyl-3,5-dinitro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H18N6O7 MolecularWeight: 490.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O7/c1-3-36-23(31)16-12-24-27(20-9-8-14-6-4-5-7-17(14)25-20)21(16)26-22(30)15-10-18(28(32)33)13(2)19(11-15)29(34)35/h4-12H,3H2,1-2H3,(H,26,30)