4-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(4-methoxy-3-nitrophenyl)-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(4-methoxy-3-nitrophenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(4-methoxy-3-nitro-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)[N+](=O)[O-]

InChI

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