[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C17H15ClN4O3/c18-15-12-5-1-2-6-13(12)21-16(15)17(24)25-11-14(23)22(9-3-7-19)10-4-8-20/h1-2,5-6,21H,3-4,9-11H2