methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O8/c1-11(18(22)20-9-12-3-5-16-17(7-12)28-10-27-16)29-15-6-4-13(19(23)26-2)8-14(15)21(24)25/h3-8,11H,9-10H2,1-2H3,(H,20,22)/t11-/m1/s1