methyl 4-oxidanylidene-2-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methoxy]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O5/c1-29-20(27)13-7-8-14-16(9-13)22-18(23-19(14)26)11-30-21(28)17-10-15(24-25-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,24,25)(H,22,23,26)