[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-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 [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O8/c1-11-3-4-15(26-2)13(7-11)20-18(22)10-29-19(23)12-8-16-17(28-6-5-27-16)9-14(12)21(24)25/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,22)