[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c1-12-2-4-14(15(8-12)21(24)25)20-18(22)11-28-19(23)10-13-3-5-16-17(9-13)27-7-6-26-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,22)