[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5/c1-4-13(2)15-8-5-6-10-17(15)21-19(23)12-27-20(24)16-9-7-11-18(14(16)3)22(25)26/h5-11,13H,4,12H2,1-3H3,(H,21,23)