4-[bis(azanyl)methylideneamino]benzoate; methane

Systemtic Name: 4-[bis(azanyl)methylideneamino]benzoate; methane Openeye Name: 4-guanidinobenzoate; methane CAS Name: 4-(diaminomethylideneamino)benzoate; methane IUPAC Name: 4-(diaminomethylideneamino)benzoate; methane Traditional Name: 4-guanidinobenzoate; methane Formula: C9H12N3O2- MolecularWeight: 194.21048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O2.CH4/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H4/p-1