octadecyl 4-azanyl-3-nitro-benzoate

Systemtic Name: octadecyl 4-azanyl-3-nitro-benzoate Openeye Name: octadecyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid octadecyl ester IUPAC Name: octadecyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid stearyl ester Formula: C25H42N2O4 MolecularWeight: 434.61198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-25(28)22-18-19-23(26)24(21-22)27(29)30/h18-19,21H,2-17,20,26H2,1H3