[4-(hydroxymethyl)phenyl] 4-(5-azanyl-2-nitro-4-octoxy-phenyl)benzoate

Systemtic Name: [4-(hydroxymethyl)phenyl] 4-(5-azanyl-2-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-(hydroxymethyl)phenyl] 4-(5-amino-2-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(5-amino-2-nitro-4-octoxyphenyl)benzoic acid [4-(hydroxymethyl)phenyl] ester IUPAC Name: [4-(hydroxymethyl)phenyl] 4-(5-amino-2-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(5-amino-2-nitro-4-octoxy-phenyl)benzoic acid (4-methylolphenyl) ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CO)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CO)N

InChI

InChI=1S/C28H32N2O6/c1-2-3-4-5-6-7-16-35-27-18-26(30(33)34)24(17-25(27)29)21-10-12-22(13-11-21)28(32)36-23-14-8-20(19-31)9-15-23/h8-15,17-18,31H,2-7,16,19,29H2,1H3