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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-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-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O9 MolecularWeight: 432.3808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H20N2O9/c1-4-28-18-9-14(22(25)26)13(8-16(18)27-3)20(24)31-11(2)19(23)21-12-5-6-15-17(7-12)30-10-29-15/h5-9,11H,4,10H2,1-3H3,(H,21,23)