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

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

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-4-10-28-17-9-8-14(11-18(17)27-3)20(24)29-13(2)19(23)21-15-6-5-7-16(12-15)22(25)26/h5-9,11-13H,4,10H2,1-3H3,(H,21,23)/t13-/m0/s1