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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate Openeye Name: [2-(2-cyano-4-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-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-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-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C21H19N3O7/c1-21(2)9-13-4-3-5-17(20(13)31-21)29-12-19(26)30-11-18(25)23-16-7-6-15(24(27)28)8-14(16)10-22/h3-8H,9,11-12H2,1-2H3,(H,23,25)