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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O9 MolecularWeight: 418.35422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O9/c1-10(18(22)20-11-4-5-14-17(6-11)29-9-28-14)30-19(23)12-7-15(26-2)16(27-3)8-13(12)21(24)25/h4-8,10H,9H2,1-3H3,(H,20,22)