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

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-8(2)15-13(17)9(3)22-12-6-5-10(14(18)21-4)7-11(12)16(19)20/h5-9H,1-4H3,(H,15,17)/t9-/m0/s1