3-[bis(azanyl)methylideneamino]-4-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]benzoic acid Openeye Name: 3-guanidino-4-[2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-[2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-guanidino-4-(2-keto-5-methylol-pyrrolidino)benzoic acid Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CO)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

Isomeric SMILES

C1CC(=O)N(C1CO)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C13H16N4O4/c14-13(15)16-9-5-7(12(20)21)1-3-10(9)17-8(6-18)2-4-11(17)19/h1,3,5,8,18H,2,4,6H2,(H,20,21)(H4,14,15,16)