[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7/c1-4-28-12-15-11-14(9-10-18(15)27-3)20(24)29-13(2)19(23)21-16-7-5-6-8-17(16)22(25)26/h5-11,13H,4,12H2,1-3H3,(H,21,23)/t13-/m1/s1