(octoxycarbonylamino) 3-nitrobenzoate

Systemtic Name: (octoxycarbonylamino) 3-nitrobenzoate Openeye Name: (octoxycarbonylamino) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [[octoxy(oxo)methyl]amino] ester IUPAC Name: (octoxycarbonylamino) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (octoxycarbonylamino) ester Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-2-3-4-5-6-7-11-23-16(20)17-24-15(19)13-9-8-10-14(12-13)18(21)22/h8-10,12H,2-7,11H2,1H3,(H,17,20)