4-[[(4-azanylcyclohexyl)amino]-(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-2-methoxy-6-nitro-phenol

Systemtic Name: 4-[[(4-azanylcyclohexyl)amino]-(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-2-methoxy-6-nitro-phenol Openeye Name: 4-[[(4-aminocyclohexyl)amino]-(1-butyltetrazol-5-yl)methyl]-2-methoxy-6-nitro-phenol CAS Name: 4-[[(4-aminocyclohexyl)amino]-(1-butyl-5-tetrazolyl)methyl]-2-methoxy-6-nitrophenol IUPAC Name: 4-[[(4-aminocyclohexyl)amino]-(1-butyltetrazol-5-yl)methyl]-2-methoxy-6-nitrophenol Traditional Name: 4-[[(4-aminocyclohexyl)amino]-(1-butyltetrazol-5-yl)methyl]-2-methoxy-6-nitro-phenol Formula: C19H29N7O4 MolecularWeight: 419.47806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)C(C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])NC3CCC(CC3)N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])NC3CCC(CC3)N

InChI

InChI=1S/C19H29N7O4/c1-3-4-9-25-19(22-23-24-25)17(21-14-7-5-13(20)6-8-14)12-10-15(26(28)29)18(27)16(11-12)30-2/h10-11,13-14,17,21,27H,3-9,20H2,1-2H3