ethyl 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloro-4-nitro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-4-nitrobenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H16ClN5O5 MolecularWeight: 465.84594

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O5/c1-2-33-22(30)16-12-24-27(19-10-7-13-5-3-4-6-18(13)25-19)20(16)26-21(29)15-9-8-14(28(31)32)11-17(15)23/h3-12H,2H2,1H3,(H,26,29)