[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-nitro-benzoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H18N2O7/c1-11-4-3-5-14(17(11)21(24)25)19(23)28-12(2)18(22)20-13-6-7-15-16(10-13)27-9-8-26-15/h3-7,10,12H,8-9H2,1-2H3,(H,20,22)