[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-5-13(2)16-10-6-7-11-17(16)22-20(24)15(4)28-21(25)19-14(3)9-8-12-18(19)23(26)27/h6-13,15H,5H2,1-4H3,(H,22,24)