2-[(Z)-1-chloranyl-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C19H13ClN2O6 MolecularWeight: 400.76932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(/C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)\Cl

InChI

InChI=1S/C19H13ClN2O6/c1-26-14-5-9(6-15-16(14)28-8-27-15)4-12(20)17-21-13-7-10(19(24)25)2-3-11(13)18(23)22-17/h2-7H,8H2,1H3,(H,24,25)(H,21,22,23)/b12-4-