[2-methyl-2-(pentylamino)propyl] 4-nitrobenzoate

Systemtic Name: [2-methyl-2-(pentylamino)propyl] 4-nitrobenzoate Openeye Name: [2-methyl-2-(pentylamino)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methyl-2-(pentylamino)propyl] ester IUPAC Name: [2-methyl-2-(pentylamino)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(amylamino)-2-methyl-propyl] ester Formula: C16H24N2O4 MolecularWeight: 308.37276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-4-5-6-11-17-16(2,3)12-22-15(19)13-7-9-14(10-8-13)18(20)21/h7-10,17H,4-6,11-12H2,1-3H3