(2Z,3E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-ylidene)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (2Z,3E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-ylidene)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2Z,3E)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2Z,3E)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2Z,3E)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2Z,3E)-2-(6-bromo-4-keto-1H-quinazolin-2-ylidene)-3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=C(C=C(C=C3)Br)C(=O)N2)C#N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/C(=C/2\NC3=C(C=C(C=C3)Br)C(=O)N2)/C#N)/C=CC1=O

InChI

InChI=1S/C18H12BrN3O3/c1-25-16-7-10(2-5-15(16)23)6-11(9-20)17-21-14-4-3-12(19)8-13(14)18(24)22-17/h2-8,21H,1H3,(H,22,24)/b10-6+,17-11-