methyl 1-ethanoyl-5-methyl-3-(3-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-ethanoyl-5-methyl-3-(3-nitrophenyl)pyrazole-4-carboxylate Openeye Name: methyl 1-acetyl-5-methyl-3-(3-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-acetyl-5-methyl-3-(3-nitrophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-methyl-3-(3-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-acetyl-5-methyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H13N3O5/c1-8-12(14(19)22-3)13(15-16(8)9(2)18)10-5-4-6-11(7-10)17(20)21/h4-7H,1-3H3