5-[bis(2-methylphenyl)carbamoyl]-2-methyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 5-[bis(2-methylphenyl)carbamoyl]-2-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 5-(bis-o-tolylcarbamoyl)-2-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[(2-methyl-N-(2-methylphenyl)anilino)-oxomethyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 5-[bis(2-methylphenyl)carbamoyl]-2-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 5-(bis-o-tolylcarbamoyl)-2-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=O)C3=NN(C(=C3[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=O)C3=NN(C(=C3[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C20H18N4O5/c1-12-8-4-6-10-14(12)23(15-11-7-5-9-13(15)2)19(25)16-17(24(28)29)18(20(26)27)22(3)21-16/h4-11H,1-3H3,(H,26,27)