ethyl 5-[2-(4-nitrophenyl)-4-oxidanylidene-quinazolin-3-yl]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-nitrophenyl)-4-oxidanylidene-quinazolin-3-yl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-nitrophenyl)-4-oxo-quinazolin-3-yl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[2-(4-nitrophenyl)-4-oxo-3-quinazolinyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-nitrophenyl)-4-oxoquinazolin-3-yl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[4-keto-2-(4-nitrophenyl)quinazolin-3-yl]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H19N5O5 MolecularWeight: 481.45956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19N5O5/c1-2-36-26(33)21-16-27-30(18-8-4-3-5-9-18)24(21)29-23(17-12-14-19(15-13-17)31(34)35)28-22-11-7-6-10-20(22)25(29)32/h3-16H,2H2,1H3