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

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N2O7/c1-4-12-29-18-11-10-15(13-19(18)28-5-2)21(25)30-14(3)20(24)22-16-8-6-7-9-17(16)23(26)27/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)/t14-/m1/s1