[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C20H16N4O5 MolecularWeight: 392.36484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c21-8-3-9-23-11-15(14-4-1-2-5-17(14)23)19(25)12-29-20(26)13-6-7-16(22)18(10-13)24(27)28/h1-2,4-7,10-11H,3,9,12,22H2