ethyl (3R)-3-[(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: ethyl (3R)-3-[(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: ethyl (3R)-3-[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3R)-3-[[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonyl)amino]-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-[(4-amino-2-oxido-furazan-2-ium-3-carbonyl)amino]-3-(p-tolyl)propionic acid ethyl ester Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=[N+](ON=C2N)[O-]

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=C(C=C1)C)NC(=O)C2=[N+](ON=C2N)[O-]

InChI

InChI=1S/C15H18N4O5/c1-3-23-12(20)8-11(10-6-4-9(2)5-7-10)17-15(21)13-14(16)18-24-19(13)22/h4-7,11H,3,8H2,1-2H3,(H2,16,18)(H,17,21)/t11-/m1/s1