3-methylbutyl 4-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(4-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3-nitro-benzoyl)amino]benzoic acid isoamyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-13(2)10-11-27-20(24)15-6-8-17(9-7-15)21-19(23)16-5-4-14(3)18(12-16)22(25)26/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)