(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O4/c1-8-15(10(3)23)9(2)20-16(8)18(25)26-7-14-21-13-6-11(19)4-5-12(13)17(24)22-14/h4-6,20H,7H2,1-3H3,(H,21,22,24)