4-[2,4-diethanoyl-1-[(4-methylphenyl)amino]-5-oxidanylidene-pyrazol-1-ium-1-yl]benzamide

Systemtic Name: 4-[2,4-diethanoyl-1-[(4-methylphenyl)amino]-5-oxidanylidene-pyrazol-1-ium-1-yl]benzamide Openeye Name: 4-[2,4-diacetyl-1-(4-methylanilino)-5-oxo-pyrazol-1-ium-1-yl]benzamide CAS Name: 4-[2,4-diacetyl-1-(4-methylanilino)-5-oxo-1-pyrazol-1-iumyl]benzamide IUPAC Name: 4-[2,4-diacetyl-1-(4-methylanilino)-5-oxopyrazol-1-ium-1-yl]benzamide Traditional Name: 4-[2,4-diacetyl-5-keto-1-(p-toluidino)-3-pyrazolin-1-ium-1-yl]benzamide Formula: C21H21N4O4+ MolecularWeight: 393.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N[N+]2(C(=O)C(=CN2C(=O)C)C(=O)C)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N[N+]2(C(=O)C(=CN2C(=O)C)C(=O)C)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O4/c1-13-4-8-17(9-5-13)23-25(18-10-6-16(7-11-18)20(22)28)21(29)19(14(2)26)12-24(25)15(3)27/h4-12,23H,1-3H3,(H-,22,28)/p+1