[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-13(24)14-6-5-7-16(10-14)22-19(25)12-29-20(26)15-8-9-17(21(2,3)4)18(11-15)23(27)28/h5-11H,12H2,1-4H3,(H,22,25)