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

Systemtic Name: methyl 5-[2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(7-fluoro-4-oxo-quinazolin-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(7-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(7-fluoro-4-keto-quinazolin-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H16FN3O4 MolecularWeight: 357.335743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)F

InChI

InChI=1S/C18H16FN3O4/c1-9-15(18(25)26-3)10(2)21-16(9)14(23)7-22-8-20-13-6-11(19)4-5-12(13)17(22)24/h4-6,8,21H,7H2,1-3H3