[3-[4-[bis(azanyl)methylideneamino]butylcarbamoyl]phenyl]methyl nitrate

Systemtic Name: [3-[4-[bis(azanyl)methylideneamino]butylcarbamoyl]phenyl]methyl nitrate Openeye Name: [3-(4-guanidinobutylcarbamoyl)phenyl]methyl nitrate CAS Name: nitric acid [3-[[4-(diaminomethylideneamino)butylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [3-[4-(diaminomethylideneamino)butylcarbamoyl]phenyl]methyl nitrate Traditional Name: nitric acid [3-(4-guanidinobutylcarbamoyl)benzyl] ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O4/c14-13(15)17-7-2-1-6-16-12(19)11-5-3-4-10(8-11)9-22-18(20)21/h3-5,8H,1-2,6-7,9H2,(H,16,19)(H4,14,15,17)