2-(3-chloranyl-4,5-dihydro-1,2-oxazol-5-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]ethanoic acid

Systemtic Name: 2-(3-chloranyl-4,5-dihydro-1,2-oxazol-5-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]ethanoic acid Openeye Name: 2-(3-chloro-4,5-dihydroisoxazol-5-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]acetic acid CAS Name: 2-(3-chloro-4,5-dihydroisoxazol-5-yl)-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]acetic acid Traditional Name: 2-(3-chloro-2-isoxazolin-5-yl)-2-[(4-nitrobenzyl)oxycarbonylamino]acetic acid Formula: C13H12ClN3O7 MolecularWeight: 357.70328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Cl)C(C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(ON=C1Cl)C(C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O7/c14-10-5-9(24-16-10)11(12(18)19)15-13(20)23-6-7-1-3-8(4-2-7)17(21)22/h1-4,9,11H,5-6H2,(H,15,20)(H,18,19)