(4Z)-4-[[(3,4-dimethyl-1-oxidanylidene-2-phenyl-3H-pyrazol-1-ium-5-yl)amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[[(3,4-dimethyl-1-oxidanylidene-2-phenyl-3H-pyrazol-1-ium-5-yl)amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[[(3,4-dimethyl-1-oxo-2-phenyl-3H-pyrazol-1-ium-5-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[[(3,4-dimethyl-1-oxo-2-phenyl-3H-pyrazol-1-ium-5-yl)amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[[(3,4-dimethyl-1-oxo-2-phenyl-3H-pyrazol-1-ium-5-yl)amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[[(2-keto-4,5-dimethyl-1-phenyl-3-pyrazolin-2-ium-3-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C18H17N4O4+ MolecularWeight: 353.35198

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C([N+](=O)N1C2=CC=CC=C2)NC=C3C=CC(=O)C(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1C(=C([N+](=O)N1C2=CC=CC=C2)N/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O4/c1-12-13(2)20(15-6-4-3-5-7-15)21(24)18(12)19-11-14-8-9-17(23)16(10-14)22(25)26/h3-11,13H,1-2H3/p+1