[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-12(19(23)13-3-8-16(27-2)9-4-13)28-20(24)14-5-10-17(21-15-6-7-15)18(11-14)22(25)26/h3-5,8-12,15,21H,6-7H2,1-2H3/t12-/m1/s1