methyl 4-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-16(9-17,11-4-5-11)18-14(20)8-25-13-6-3-10(15(21)24-2)7-12(13)19(22)23/h3,6-7,11H,4-5,8H2,1-2H3,(H,18,20)/t16-/m0/s1