methyl 3-[bis(azanyl)methylideneamino]-4-[2-(2-hydroxyethyloxy)ethanoylamino]benzoate

Systemtic Name: methyl 3-[bis(azanyl)methylideneamino]-4-[2-(2-hydroxyethyloxy)ethanoylamino]benzoate Openeye Name: methyl 3-guanidino-4-[[2-(2-hydroxyethoxy)acetyl]amino]benzoate CAS Name: 3-(diaminomethylideneamino)-4-[[2-(2-hydroxyethoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(diaminomethylideneamino)-4-[[2-(2-hydroxyethoxy)acetyl]amino]benzoate Traditional Name: 3-guanidino-4-[[2-(2-hydroxyethoxy)acetyl]amino]benzoic acid methyl ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC(=O)COCCO)N=C(N)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC(=O)COCCO)N=C(N)N

InChI

InChI=1S/C13H18N4O5/c1-21-12(20)8-2-3-9(10(6-8)17-13(14)15)16-11(19)7-22-5-4-18/h2-3,6,18H,4-5,7H2,1H3,(H,16,19)(H4,14,15,17)