[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H21N3O6/c1-14(2)9-10-29-18-6-3-15(4-7-18)21(26)30-13-20(25)23-19-8-5-17(24(27)28)11-16(19)12-22/h3-8,11,14H,9-10,13H2,1-2H3,(H,23,25)