2-(cyclohexylamino)butyl 4-nitrobenzoate

Systemtic Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate Openeye Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(cyclohexylamino)butyl ester IUPAC Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(cyclohexylamino)butyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2CCCCC2

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2CCCCC2

InChI

InChI=1S/C17H24N2O4/c1-2-14(18-15-6-4-3-5-7-15)12-23-17(20)13-8-10-16(11-9-13)19(21)22/h8-11,14-15,18H,2-7,12H2,1H3