ethyl 5-[(3-nitrophenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-nitrophenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-nitrobenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(3-nitrophenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-nitrobenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(3-nitrobenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O5/c1-2-32-22(29)17-13-23-26(19-11-10-14-6-3-4-9-18(14)24-19)20(17)25-21(28)15-7-5-8-16(12-15)27(30)31/h3-13H,2H2,1H3,(H,25,28)