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

Systemtic Name: methyl (2E)-2-[(2E)-1-chloranyl-2-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl (2E)-2-[(2E)-1-chloro-2-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: (2E)-2-[(2E)-1-chloro-2-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[(2E)-1-chloro-2-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: (2E)-2-[(2E)-1-chloro-2-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H14ClN3O7 MolecularWeight: 431.78336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2)Cl)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C/C(=C\2/NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2)/Cl)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O7/c1-29-15-7-9(6-14(16(15)24)23(27)28)5-12(20)17-21-13-8-10(19(26)30-2)3-4-11(13)18(25)22-17/h3-8,21H,1-2H3,(H,22,25)/b9-5+,17-12+