3-azanyl-2-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: 3-azanyl-2-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: 3-amino-2-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: 3-amino-3-mercapto-2-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-propenenitrile IUPAC Name: 3-amino-2-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: 3-amino-2-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4S/c1-18-9-4-6(2-7(5-12)11(13)19)3-8(10(9)15)14(16)17/h2-4,19H,13H2,1H3