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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[bis(2-chloroethyl)amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-1-methyl-indole-2-carboxylic acid Formula: C14H16Cl2N2O2 MolecularWeight: 315.19504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)C=C1C(=O)O

InChI

InChI=1S/C14H16Cl2N2O2/c1-17-12-3-2-11(18(6-4-15)7-5-16)8-10(12)9-13(17)14(19)20/h2-3,8-9H,4-7H2,1H3,(H,19,20)