[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-17(11-18,13-7-8-13)19-15(21)10-25-16(22)9-6-12-4-2-3-5-14(12)20(23)24/h2-6,9,13H,7-8,10H2,1H3,(H,19,21)/b9-6+/t17-/m0/s1