[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-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 [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyacetic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)[N+](=O)[O-]

InChI

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