(2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2E,3E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)C#N)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C/C(=C\2/NC3=CC=CC=C3S2)/C#N)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4S/c1-24-14-8-10(7-13(16(14)21)20(22)23)6-11(9-18)17-19-12-4-2-3-5-15(12)25-17/h2-8,19H,1H3/b10-6+,17-11+