[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyacetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C21H22N2O7/c1-13(20(25)22-15-8-4-5-9-16(15)23(26)27)29-18(24)12-28-17-10-6-7-14-11-21(2,3)30-19(14)17/h4-10,13H,11-12H2,1-3H3,(H,22,25)