2-(2-methylpropylamino)ethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 2-(2-methylpropylamino)ethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-(isobutylamino)ethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-(2-methylpropylamino)ethyl ester IUPAC Name: 2-(2-methylpropylamino)ethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 2-(isobutylamino)ethyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCNCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCNCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-10(2)9-15-6-7-20-14(17)12-5-4-11(3)13(8-12)16(18)19/h4-5,8,10,15H,6-7,9H2,1-3H3