2-[5-[[3,4-bis(azanyl)phenyl]amino]pentyl]-1-nitro-guanidine

Systemtic Name: 2-[5-[[3,4-bis(azanyl)phenyl]amino]pentyl]-1-nitro-guanidine Openeye Name: 2-[5-(3,4-diaminoanilino)pentyl]-1-nitro-guanidine CAS Name: 2-[5-(3,4-diaminoanilino)pentyl]-1-nitroguanidine IUPAC Name: 2-[5-(3,4-diaminoanilino)pentyl]-1-nitroguanidine Traditional Name: 2-[5-(3,4-diaminoanilino)pentyl]-1-nitro-guanidine Formula: C12H21N7O2 MolecularWeight: 295.34084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCCCN=C(N)N[N+](=O)[O-])N)N

Isomeric SMILES

C1=CC(=C(C=C1NCCCCCN=C(N)N[N+](=O)[O-])N)N

InChI

InChI=1S/C12H21N7O2/c13-10-5-4-9(8-11(10)14)16-6-2-1-3-7-17-12(15)18-19(20)21/h4-5,8,16H,1-3,6-7,13-14H2,(H3,15,17,18)