3-[bis(azanyl)methylideneamino]propyl 4-nitrobenzoate

Systemtic Name: 3-[bis(azanyl)methylideneamino]propyl 4-nitrobenzoate Openeye Name: 3-guanidinopropyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-(diaminomethylideneamino)propyl ester IUPAC Name: 3-(diaminomethylideneamino)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-guanidinopropyl ester Formula: C11H14N4O4 MolecularWeight: 266.25326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCN=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCN=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O4/c12-11(13)14-6-1-7-19-10(16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2,(H4,12,13,14)