[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)16-11-8-15(9-12-16)10-13-20(25)28-14-19(24)22-17-6-4-5-7-18(17)23(26)27/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,24)