4-[(Z)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-1-ium-4-ylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(Z)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-1-ium-4-ylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(Z)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-1-ium-4-ylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(Z)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazol-1-iumylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-1-ium-4-ylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(Z)-(3-keto-1,5-dimethyl-2-phenyl-2-pyrazolin-1-ium-4-ylidene)-(4-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26N5O4+ MolecularWeight: 508.54784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=C3C(=[N+](N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C(=C\3/C(=[N+](N(C3=O)C4=CC=CC=C4)C)C)/C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H26N5O4/c1-19-25(28(35)32(30(19)3)22-11-7-5-8-12-22)27(21-15-17-24(18-16-21)34(37)38)26-20(2)31(4)33(29(26)36)23-13-9-6-10-14-23/h5-18H,1-4H3/q+1