methyl 5-aminocarbonyl-4-nitro-1-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-nitro-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-5-carbamoyl-4-nitro-pyrazole-3-carboxylate CAS Name: 5-carbamoyl-4-nitro-1-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-carbamoyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-benzyl-5-carbamoyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C13H12N4O5/c1-22-13(19)9-10(17(20)21)11(12(14)18)16(15-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,14,18)