3-[bis(azanyl)methylideneamino]-4-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid Openeye Name: 3-guanidino-4-(2-oxopyrrolidin-1-yl)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(2-oxo-1-pyrrolidinyl)benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(2-oxopyrrolidin-1-yl)benzoic acid Traditional Name: 3-guanidino-4-(2-ketopyrrolidino)benzoic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C12H14N4O3/c13-12(14)15-8-6-7(11(18)19)3-4-9(8)16-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,18,19)(H4,13,14,15)