N-methyloctadecan-1-amine; 3-nitro-2-phenyldiazenyl-benzoic acid

Systemtic Name: N-methyloctadecan-1-amine; 3-nitro-2-phenyldiazenyl-benzoic acid Openeye Name: N-methyloctadecan-1-amine; 3-nitro-2-phenylazo-benzoic acid CAS Name: N-methyl-1-octadecanamine; 3-nitro-2-phenyldiazenylbenzoic acid IUPAC Name: N-methyloctadecan-1-amine; 3-nitro-2-phenyldiazenylbenzoic acid Traditional Name: methyl(stearyl)amine; 3-nitro-2-phenylazo-benzoic acid Formula: C32H50N4O4 MolecularWeight: 554.7638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC.C1=CC=C(C=C1)N=NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC.C1=CC=C(C=C1)N=NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H41N.C13H9N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;17-13(18)10-7-4-8-11(16(19)20)12(10)15-14-9-5-2-1-3-6-9/h20H,3-19H2,1-2H3;1-8H,(H,17,18)