[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OCC3CCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OCC3CCCO3

InChI

InChI=1S/C21H22N2O7/c1-14(20(24)22-16-6-3-7-17(12-16)23(26)27)30-21(25)15-5-2-8-18(11-15)29-13-19-9-4-10-28-19/h2-3,5-8,11-12,14,19H,4,9-10,13H2,1H3,(H,22,24)