4-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-pyrrole-2-carboxylic acid Formula: C17H19Cl2N3O3 MolecularWeight: 384.25706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)N(C(=O)C2=CC=CC=C2)N(CCCl)CCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)O)N(C(=O)C2=CC=CC=C2)N(CCCl)CCCl

InChI

InChI=1S/C17H19Cl2N3O3/c1-20-12-14(11-15(20)17(24)25)22(21(9-7-18)10-8-19)16(23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,24,25)