4-methoxy-6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-methoxy-6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(4-mesyl-2-nitro-anilino)ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)C=C1

InChI

InChI=1S/C17H19N3O6S/c1-26-13-3-6-17(21)12(9-13)11-18-7-8-19-15-5-4-14(27(2,24)25)10-16(15)20(22)23/h3-6,9-11,18-19H,7-8H2,1-2H3