3-[bis(azanyl)methylideneamino]-5-methoxycarbonyl-benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-5-methoxycarbonyl-benzoic acid Openeye Name: 3-guanidino-5-methoxycarbonyl-benzoic acid CAS Name: 3-(diaminomethylideneamino)-5-methoxycarbonylbenzoic acid IUPAC Name: 3-(diaminomethylideneamino)-5-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-5-guanidino-benzoic acid Formula: C10H11N3O4 MolecularWeight: 237.21204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)O)N=C(N)N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)O)N=C(N)N

InChI

InChI=1S/C10H11N3O4/c1-17-9(16)6-2-5(8(14)15)3-7(4-6)13-10(11)12/h2-4H,1H3,(H,14,15)(H4,11,12,13)