1-[(2-methyl-4-nitro-phenyl)amino]octadecane-1,3-diol

Systemtic Name: 1-[(2-methyl-4-nitro-phenyl)amino]octadecane-1,3-diol Openeye Name: 1-(2-methyl-4-nitro-anilino)octadecane-1,3-diol CAS Name: 1-(2-methyl-4-nitroanilino)octadecane-1,3-diol IUPAC Name: 1-(2-methyl-4-nitroanilino)octadecane-1,3-diol Traditional Name: 1-(2-methyl-4-nitro-anilino)octadecane-1,3-diol Formula: C25H44N2O4 MolecularWeight: 436.62786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(NC1=C(C=C(C=C1)[N+](=O)[O-])C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(NC1=C(C=C(C=C1)[N+](=O)[O-])C)O)O

InChI

InChI=1S/C25H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(28)20-25(29)26-24-18-17-22(27(30)31)19-21(24)2/h17-19,23,25-26,28-29H,3-16,20H2,1-2H3