[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H12ClN3O5 MolecularWeight: 337.71518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NCCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC(=O)NCCC#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H12ClN3O5/c15-11-4-2-10(8-12(11)18(21)22)3-5-14(20)23-9-13(19)17-7-1-6-16/h2-5,8H,1,7,9H2,(H,17,19)/b5-3+