[4-[2-(dodecylamino)-2-oxidanylidene-ethoxy]-3-nitro-phenyl] benzoate

Systemtic Name: [4-[2-(dodecylamino)-2-oxidanylidene-ethoxy]-3-nitro-phenyl] benzoate Openeye Name: [4-[2-(dodecylamino)-2-oxo-ethoxy]-3-nitro-phenyl] benzoate CAS Name: benzoic acid [4-[2-(dodecylamino)-2-oxoethoxy]-3-nitrophenyl] ester IUPAC Name: [4-[2-(dodecylamino)-2-oxoethoxy]-3-nitrophenyl] benzoate Traditional Name: benzoic acid [4-[2-keto-2-(laurylamino)ethoxy]-3-nitro-phenyl] ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)COC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)COC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H36N2O6/c1-2-3-4-5-6-7-8-9-10-14-19-28-26(30)21-34-25-18-17-23(20-24(25)29(32)33)35-27(31)22-15-12-11-13-16-22/h11-13,15-18,20H,2-10,14,19,21H2,1H3,(H,28,30)