[2-[(3-methoxy-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-(3-oxidanylidene-1-benzothiophen-2-ylidene)methanolate

Systemtic Name: [2-[(3-methoxy-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-(3-oxidanylidene-1-benzothiophen-2-ylidene)methanolate Openeye Name: [2-[(3-methoxy-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-(3-oxobenzothiophen-2-ylidene)methanolate CAS Name: [(3-methoxy-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-(3-oxo-1-benzothiophen-2-ylidene)methanolate IUPAC Name: [2-[(3-methoxy-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-(3-oxo-1-benzothiophen-2-ylidene)methanolate Traditional Name: (3-ketobenzothiophen-2-ylidene)-[N'-[(6-keto-3-methoxy-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]methanolate Formula: C17H12N3O6S- MolecularWeight: 386.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=C2C(=O)C3=CC=CC=C3S2)[O-])C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=C2C(=O)C3=CC=CC=C3S2)[O-])C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c1-26-10-6-9(14(21)12(7-10)20(24)25)8-18-19-17(23)16-15(22)11-4-2-3-5-13(11)27-16/h2-8,18-19,23H,1H3/p-1