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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid CAS Name: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid Formula: C13H14Cl2N2O2 MolecularWeight: 301.16846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCl)CCCl)C=C(N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCCl)CCCl)C=C(N2)C(=O)O

InChI

InChI=1S/C13H14Cl2N2O2/c14-3-5-17(6-4-15)10-1-2-11-9(7-10)8-12(16-11)13(18)19/h1-2,7-8,16H,3-6H2,(H,18,19)