[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-3-29-18-11-15(16(23(26)27)12-17(18)28-2)21(25)30-19(13-7-5-4-6-8-13)20(24)22-14-9-10-14/h4-8,11-12,14,19H,3,9-10H2,1-2H3,(H,22,24)/t19-/m1/s1