[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15N3O6/c1-11(27-18(23)13-5-3-12(10-19)4-6-13)17(22)20-15-8-7-14(21(24)25)9-16(15)26-2/h3-9,11H,1-2H3,(H,20,22)/t11-/m1/s1