5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(6-nitrocyclohexa-2,4-dien-1-yl)methyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(6-nitrocyclohexa-2,4-dien-1-yl)methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(6-nitrocyclohexa-2,4-dien-1-yl)methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(6-nitro-1-cyclohexa-2,4-dienyl)methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(6-nitrocyclohexa-2,4-dien-1-yl)methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(6-nitrocyclohexa-2,4-dien-1-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3C=CC=CC3[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3C=CC=CC3[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N5O4/c1-17-23(26(33)30(28-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)32(35)36)24-18(2)29-31(27(24)34)20-13-7-4-8-14-20/h3-16,21-22,25,28-29H,1-2H3