ethyl 2-ethanoyl-4-(3-nitrophenyl)-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl 2-ethanoyl-4-(3-nitrophenyl)-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl 2-acetyl-3-benzoyl-4-(3-nitrophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 2-acetyl-3-benzoyl-4-(3-nitrophenyl)-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-benzoyl-4-(3-nitrophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1-acetyl-5-benzoyl-4-(3-nitrophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H19N3O6/c1-3-30-21(27)18-17(15-10-7-11-16(12-15)24(28)29)19(23(22-18)13(2)25)20(26)14-8-5-4-6-9-14/h4-12,17,19H,3H2,1-2H3