4-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitro-benzamide

Systemtic Name: 4-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitro-benzamide Openeye Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitro-benzamide CAS Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitrobenzamide IUPAC Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitrobenzamide Traditional Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-3-nitro-benzamide Formula: C16H19N7O3 MolecularWeight: 357.36716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C16H19N7O3/c17-9-11-12(21-22-15(11)18)4-2-1-3-7-20-13-6-5-10(16(19)24)8-14(13)23(25)26/h5-6,8,20H,1-4,7H2,(H2,19,24)(H3,18,21,22)