4-azanyl-1-[(5-methyl-2-nitro-phenyl)amino]nonan-5-ol

Systemtic Name: 4-azanyl-1-[(5-methyl-2-nitro-phenyl)amino]nonan-5-ol Openeye Name: 4-amino-1-(5-methyl-2-nitro-anilino)nonan-5-ol CAS Name: 4-amino-1-(5-methyl-2-nitroanilino)-5-nonanol IUPAC Name: 4-amino-1-(5-methyl-2-nitroanilino)nonan-5-ol Traditional Name: 4-amino-1-(5-methyl-2-nitro-anilino)nonan-5-ol Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])N)O

Isomeric SMILES

CCCCC(C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])N)O

InChI

InChI=1S/C16H27N3O3/c1-3-4-7-16(20)13(17)6-5-10-18-14-11-12(2)8-9-15(14)19(21)22/h8-9,11,13,16,18,20H,3-7,10,17H2,1-2H3