4-(dimethylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-13-18(20(27)24(23(13)4)15-8-6-5-7-9-15)21-19(26)14-10-11-16(22(2)3)17(12-14)25(28)29/h5-12H,1-4H3,(H,21,26)