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

Systemtic Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O8/c1-10(17(21)19-12-4-6-15-16(8-12)27-9-26-15)28-14-5-3-11(18(22)25-2)7-13(14)20(23)24/h3-8,10H,9H2,1-2H3,(H,19,21)/t10-/m1/s1