1-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[(4-methyl-3,5-dinitroanilino)-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[(4-methyl-3,5-dinitrophenyl)carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbamoyl]pyrazole-4-carboxylic acid Formula: C13H11N5O7 MolecularWeight: 349.25574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C=NN2C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C=NN2C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O7/c1-6-9(17(22)23)3-7(4-10(6)18(24)25)15-12(19)11-8(13(20)21)5-14-16(11)2/h3-5H,1-2H3,(H,15,19)(H,20,21)