(1-methyl-10-oxidanylidene-1-azacycloheptadec-9-yl) 4-nitrobenzoate

Systemtic Name: (1-methyl-10-oxidanylidene-1-azacycloheptadec-9-yl) 4-nitrobenzoate Openeye Name: (1-methyl-10-oxo-azacycloheptadec-9-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-methyl-10-oxo-azacycloheptadec-9-yl) ester IUPAC Name: (1-methyl-10-oxo-azacycloheptadec-9-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (10-keto-1-methyl-azacycloheptadec-9-yl) ester Formula: C24H36N2O5 MolecularWeight: 432.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCCCC(C(=O)CCCCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCCCCCCC(C(=O)CCCCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H36N2O5/c1-25-18-10-6-2-4-8-12-22(27)23(13-9-5-3-7-11-19-25)31-24(28)20-14-16-21(17-15-20)26(29)30/h14-17,23H,2-13,18-19H2,1H3