4-azanyl-N-[(E)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonamide

Systemtic Name: 4-azanyl-N-[(E)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonamide Openeye Name: 4-amino-N-[(E)-(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonamide CAS Name: 4-amino-N-[(E)-(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzenesulfonamide IUPAC Name: 4-amino-N-[(E)-(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonamide Traditional Name: 4-amino-N-[(E)-(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonamide Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNS(=O)(=O)C2=CC=C(C=C2)N)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C/C(=C\NS(=O)(=O)C2=CC=C(C=C2)N)/C1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-23-13-7-11(17(19)20)6-9(14(13)18)8-16-24(21,22)12-4-2-10(15)3-5-12/h2-8,16H,15H2,1H3/b9-8+