N-ethyl-N-phenyldiazenyl-hexan-1-amine; 3-nitrobenzoic acid

Systemtic Name: N-ethyl-N-phenyldiazenyl-hexan-1-amine; 3-nitrobenzoic acid Openeye Name: N-ethyl-N-phenylazo-hexan-1-amine; 3-nitrobenzoic acid CAS Name: N-ethyl-N-phenyldiazenyl-1-hexanamine; 3-nitrobenzoic acid IUPAC Name: N-ethyl-N-phenyldiazenylhexan-1-amine; 3-nitrobenzoic acid Traditional Name: ethyl-hexyl-phenylazo-amine; 3-nitrobenzoic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3.C7H5NO4/c1-3-5-6-10-13-17(4-2)16-15-14-11-8-7-9-12-14;9-7(10)5-2-1-3-6(4-5)8(11)12/h7-9,11-12H,3-6,10,13H2,1-2H3;1-4H,(H,9,10)