2-[[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]carbamoyl]benzoic acid Openeye Name: 2-[[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]carbamoyl]benzoic acid CAS Name: 2-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]carbamoyl]benzoic acid Traditional Name: 2-[[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]carbamoyl]benzoic acid Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NNC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NNC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C13H13N5O5/c1-7-10(18(22)23)11(17(2)16-7)14-15-12(19)8-5-3-4-6-9(8)13(20)21/h3-6,14H,1-2H3,(H,15,19)(H,20,21)