2-azanylbenzoate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-azanylbenzoate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-aminobenzoate; 2-amino-5-guanidino-pentanoic acid CAS Name: 2-aminobenzoate; 2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-aminobenzoate; 2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; anthranilate Formula: C13H20N5O4- MolecularWeight: 310.329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C6H14N4O2/c8-6-4-2-1-3-5(6)7(9)10;7-4(5(11)12)2-1-3-10-6(8)9/h1-4H,8H2,(H,9,10);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1