[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N(CCC#N)CCC#N)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N(CCC#N)CCC#N)OC

InChI

InChI=1S/C19H20N4O5/c1-26-14-9-13-10-15(22-18(13)16(11-14)27-2)19(25)28-12-17(24)23(7-3-5-20)8-4-6-21/h9-11,22H,3-4,7-8,12H2,1-2H3