3-benzamidopropanoic acid; 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine

Systemtic Name: 3-benzamidopropanoic acid; 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine Openeye Name: 3-benzamidopropanoic acid; 3-(diaminomethylene)-1,1-dimethyl-guanidine CAS Name: 3-benzamidopropanoic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name: 3-benzamidopropanoic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine Traditional Name: 3-benzamidopropionic acid; 3-(diaminomethylene)-1,1-dimethyl-guanidine Formula: C14H22N6O3 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)N=C(N)N.C1=CC=C(C=C1)C(=O)NCCC(=O)O

Isomeric SMILES

CN(C)C(=N)N=C(N)N.C1=CC=C(C=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C10H11NO3.C4H11N5/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8;1-9(2)4(7)8-3(5)6/h1-5H,6-7H2,(H,11,14)(H,12,13);1-2H3,(H5,5,6,7,8)