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

Systemtic Name: ethyl 3-[bis(azanyl)methylideneamino]-4-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 3-guanidino-4-[2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]benzoate CAS Name: 3-(diaminomethylideneamino)-4-[2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(diaminomethylideneamino)-4-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]benzoate Traditional Name: 3-guanidino-4-(2-keto-5-methylol-pyrrolidino)benzoic acid ethyl ester Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CO)N=C(N)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CO)N=C(N)N

InChI

InChI=1S/C15H20N4O4/c1-2-23-14(22)9-3-5-12(11(7-9)18-15(16)17)19-10(8-20)4-6-13(19)21/h3,5,7,10,20H,2,4,6,8H2,1H3,(H4,16,17,18)