5-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-2-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one

Systemtic Name: 5-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-2-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one Openeye Name: 5-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-2-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-2-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one IUPAC Name: 5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-2-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one Traditional Name: 2-(2,4-dinitrophenyl)-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-3-(4-methoxyphenyl)-1H-pyridazin-6-one Formula: C28H23N7O7 MolecularWeight: 569.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(N(NC3=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(N(NC3=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H23N7O7/c1-17-26(28(37)33(31(17)2)19-7-5-4-6-8-19)29-22-16-24(18-9-12-21(42-3)13-10-18)32(30-27(22)36)23-14-11-20(34(38)39)15-25(23)35(40)41/h4-16H,1-3H3,(H,30,36)