5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-2-methyl-pyrazole-3-carboxylic acid Formula: C16H18Cl2N4O3 MolecularWeight: 385.24512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)N(C(=O)C2=CC=CC=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)N(C(=O)C2=CC=CC=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C16H18Cl2N4O3/c1-20-13(16(24)25)11-14(19-20)22(21(9-7-17)10-8-18)15(23)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,24,25)