6-methyl-1-[(E)-(2-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-4-sulfanyl-5H-furo[3,4-c]pyridin-3-one

Systemtic Name: 6-methyl-1-[(E)-(2-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-4-sulfanyl-5H-furo[3,4-c]pyridin-3-one Openeye Name: 6-methyl-1-[(E)-(2-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-4-sulfanyl-5H-furo[3,4-c]pyridin-3-one CAS Name: 4-mercapto-6-methyl-1-[(E)-(2-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5H-furo[3,4-c]pyridin-3-one IUPAC Name: 6-methyl-1-[(E)-(2-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-sulfanyl-5H-furo[3,4-c]pyridin-3-one Traditional Name: 1-[(E)-(6-keto-2-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-4-mercapto-6-methyl-5H-furo[3,4-c]pyridin-3-one Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(OC(=O)C2=C(N1)S)C=C3C(=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(OC(=O)C2=C(N1)S)/C=C\3/C(=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O5S/c1-7-5-9-12(22-15(19)13(9)14(23)16-7)6-8-10(17(20)21)3-2-4-11(8)18/h2-6,16,23H,1H3/b8-6+