methyl (2E)-2-[1-chloranyl-2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl (2E)-2-[1-chloranyl-2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl (2E)-2-[1-chloro-2-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: (2E)-2-[1-chloro-2-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[1-chloro-2-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: (2E)-2-[1-chloro-2-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2)Cl)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2)/Cl)C=C(C1=O)C

InChI

InChI=1S/C20H17ClN2O4/c1-10-6-12(7-11(2)17(10)24)8-15(21)18-22-16-9-13(20(26)27-3)4-5-14(16)19(25)23-18/h4-9,22H,1-3H3,(H,23,25)/b18-15+