methyl 4-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-11-5-4-6-14(9-11)19-17(21)12(2)26-16-8-7-13(18(22)25-3)10-15(16)20(23)24/h4-10,12H,1-3H3,(H,19,21)/t12-/m0/s1