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

Systemtic Name: 4-[2-(aminomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-[bis(azanyl)methylideneamino]benzoic acid Openeye Name: 4-[2-(aminomethyl)-5-oxo-pyrrolidin-1-yl]-3-guanidino-benzoic acid CAS Name: 4-[2-(aminomethyl)-5-oxo-1-pyrrolidinyl]-3-(diaminomethylideneamino)benzoic acid IUPAC Name: 4-[2-(aminomethyl)-5-oxopyrrolidin-1-yl]-3-(diaminomethylideneamino)benzoic acid Traditional Name: 4-[2-(aminomethyl)-5-keto-pyrrolidino]-3-guanidino-benzoic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CN)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

Isomeric SMILES

C1CC(=O)N(C1CN)C2=C(C=C(C=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C13H17N5O3/c14-6-8-2-4-11(19)18(8)10-3-1-7(12(20)21)5-9(10)17-13(15)16/h1,3,5,8H,2,4,6,14H2,(H,20,21)(H4,15,16,17)