5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylindole-2-carboxylic acid Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-indole-2-carboxylic acid Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl)C=C1C(=O)O

InChI

InChI=1S/C21H21Cl2N3O3/c1-25-18-7-4-16(12-15(18)13-19(25)21(28)29)24-20(27)14-2-5-17(6-3-14)26(10-8-22)11-9-23/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H,28,29)