[2,5-dimethyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-yl] ethanoate

Systemtic Name: [2,5-dimethyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-yl] ethanoate Openeye Name: [2,5-dimethyl-4-(4-nitrobenzoyl)pyrazol-3-yl] acetate CAS Name: acetic acid [2,5-dimethyl-4-[(4-nitrophenyl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2,5-dimethyl-4-(4-nitrobenzoyl)pyrazol-3-yl] acetate Traditional Name: acetic acid [2,5-dimethyl-4-(4-nitrobenzoyl)pyrazol-3-yl] ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)C

InChI

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