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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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