[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H18N2O8/c1-11(23)13-3-5-14(6-4-13)21-19(24)12(2)30-20(25)15-9-17-18(29-8-7-28-17)10-16(15)22(26)27/h3-6,9-10,12H,7-8H2,1-2H3,(H,21,24)