(octadecoxycarbonylamino) 4-nitrobenzoate

Systemtic Name: (octadecoxycarbonylamino) 4-nitrobenzoate Openeye Name: (octadecoxycarbonylamino) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[octadecoxy(oxo)methyl]amino] ester IUPAC Name: (octadecoxycarbonylamino) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (stearyloxycarbonylamino) ester Formula: C26H42N2O6 MolecularWeight: 478.62148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C26H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-26(30)27-34-25(29)23-18-20-24(21-19-23)28(31)32/h18-21H,2-17,22H2,1H3,(H,27,30)