methyl 5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-carbamimidoylphenyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-carbamimidoylphenyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 5-(2-amino-2-oxo-ethyl)-3-(3-carbamimidoylphenyl)-4H-isoxazole-5-carboxylate CAS Name: 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-amidinophenyl)-5-(2-amino-2-keto-ethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)CC(=O)N

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)CC(=O)N

InChI

InChI=1S/C14H16N4O4/c1-21-13(20)14(7-11(15)19)6-10(18-22-14)8-3-2-4-9(5-8)12(16)17/h2-5H,6-7H2,1H3,(H2,15,19)(H3,16,17)