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

Systemtic Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-indole-2-carboxylic acid Openeye Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylic acid Formula: C20H19Cl2N3O3 MolecularWeight: 420.28916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)NC(=C3)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)NC(=C3)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C20H19Cl2N3O3/c21-7-9-25(10-8-22)16-4-1-13(2-5-16)19(26)23-15-3-6-17-14(11-15)12-18(24-17)20(27)28/h1-6,11-12,24H,7-10H2,(H,23,26)(H,27,28)