ethyl [4-[[2-nitro-4-(octadecanoylamino)phenyl]amino]phenyl] carbonate

Systemtic Name: ethyl [4-[[2-nitro-4-(octadecanoylamino)phenyl]amino]phenyl] carbonate Openeye Name: ethyl [4-[2-nitro-4-(octadecanoylamino)anilino]phenyl] carbonate CAS Name: carbonic acid ethyl [4-[2-nitro-4-(1-oxooctadecylamino)anilino]phenyl] ester IUPAC Name: ethyl [4-[2-nitro-4-(octadecanoylamino)anilino]phenyl] carbonate Traditional Name: carbonic acid ethyl [4-(2-nitro-4-stearamido-anilino)phenyl] ester Formula: C33H49N3O6 MolecularWeight: 583.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)NC2=CC=C(C=C2)OC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)NC2=CC=C(C=C2)OC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C33H49N3O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(37)35-28-22-25-30(31(26-28)36(39)40)34-27-20-23-29(24-21-27)42-33(38)41-4-2/h20-26,34H,3-19H2,1-2H3,(H,35,37)