(6E)-6-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(4-methoxy-3-nitrophenyl)-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(4-methoxy-3-nitrophenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC=CC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)/N=C/4\C=CC=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c1-29-19-11-10-13(12-17(19)25(27)28)20-14-6-2-3-7-15(14)21(24-23-20)22-16-8-4-5-9-18(16)26/h2-12,23-24H,1H3/b22-16+