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

Systemtic Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC=C2C=C(C=CC2=O)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC=C2C=C(C=CC2=O)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O7/c1-26-16-8-11(14(20(24)25)9-17(16)27-2)5-6-18-10-12-7-13(19(22)23)3-4-15(12)21/h3-4,7-10,18H,5-6H2,1-2H3