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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-14(2)10-11-29-16-6-4-15(5-7-16)21(25)30-13-20(24)22-18-9-8-17(28-3)12-19(18)23(26)27/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,24)