[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-11(14-9-13(27-2)5-7-17(14)28-3)21-18(23)10-29-19(24)12-4-6-15(20)16(8-12)22(25)26/h4-9,11H,10,20H2,1-3H3,(H,21,23)/t11-/m1/s1