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

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
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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)


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