6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)C=C1

InChI

InChI=1S/C18H20N2O6/c1-24-14-4-5-16(21)13(8-14)11-19-7-6-12-9-17(25-2)18(26-3)10-15(12)20(22)23/h4-5,8-11,19H,6-7H2,1-3H3