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

Systemtic Name: (2Z,3Z)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-ylidene)-3-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2Z,3Z)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2Z,3Z)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2Z,3Z)-2-(6-bromo-4-oxo-1H-quinazolin-2-ylidene)-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2Z,3Z)-2-(6-bromo-4-keto-1H-quinazolin-2-ylidene)-3-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C17H9BrN4O4 MolecularWeight: 413.18176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)NC(=C(C=C3C=CC(=O)C(=C3)[N+](=O)[O-])C#N)N2

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)N/C(=C(/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])\C#N)/N2

InChI

InChI=1S/C17H9BrN4O4/c18-11-2-3-13-12(7-11)17(24)21-16(20-13)10(8-19)5-9-1-4-15(23)14(6-9)22(25)26/h1-7,20H,(H,21,24)/b9-5-,16-10-