1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenyl-4H-pyrazol-1-ium-3-one

Systemtic Name: 1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenyl-4H-pyrazol-1-ium-3-one Openeye Name: 1,5-dimethyl-4-[(3-nitrophenyl)methyleneamino]-2-phenyl-4H-pyrazol-1-ium-3-one CAS Name: 1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenyl-4H-pyrazol-1-ium-3-one IUPAC Name: 1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenyl-4H-pyrazol-1-ium-3-one Traditional Name: 1,5-dimethyl-4-[(3-nitrobenzylidene)amino]-2-phenyl-2-pyrazolin-1-ium-3-one Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=[N+](N(C(=O)C1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N4O3/c1-13-17(19-12-14-7-6-10-16(11-14)22(24)25)18(23)21(20(13)2)15-8-4-3-5-9-15/h3-12,17H,1-2H3/q+1