2-[4-azanyl-5-[(phenylmethyl)amino]pentyl]-1-nitro-guanidine

Systemtic Name: 2-[4-azanyl-5-[(phenylmethyl)amino]pentyl]-1-nitro-guanidine Openeye Name: 2-[4-amino-5-(benzylamino)pentyl]-1-nitro-guanidine CAS Name: 2-[4-amino-5-[(phenylmethyl)amino]pentyl]-1-nitroguanidine IUPAC Name: 2-[4-amino-5-(benzylamino)pentyl]-1-nitroguanidine Traditional Name: 2-[4-amino-5-(benzylamino)pentyl]-1-nitro-guanidine Formula: C13H22N6O2 MolecularWeight: 294.35278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CCCN=C(N)N[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CCCN=C(N)N[N+](=O)[O-])N

InChI

InChI=1S/C13H22N6O2/c14-12(7-4-8-17-13(15)18-19(20)21)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10,14H2,(H3,15,17,18)