2-[[3-[(2Z)-2-hydroxyimino-1-nitro-1-oxidanyl-2-phenyl-ethyl]phenyl]methoxycarbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[(2Z)-2-hydroxyimino-1-nitro-1-oxidanyl-2-phenyl-ethyl]phenyl]methoxycarbonylamino]ethanoic acid Openeye Name: 2-[[3-[(2Z)-1-hydroxy-2-hydroxyimino-1-nitro-2-phenyl-ethyl]phenyl]methoxycarbonylamino]acetic acid CAS Name: 2-[[[3-[(2Z)-1-hydroxy-2-hydroxyimino-1-nitro-2-phenylethyl]phenyl]methoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(2Z)-1-hydroxy-2-hydroxyimino-1-nitro-2-phenylethyl]phenyl]methoxycarbonylamino]acetic acid Traditional Name: 2-[[3-[(2Z)-2-hydroximino-1-hydroxy-1-nitro-2-phenyl-ethyl]benzyl]oxycarbonylamino]acetic acid Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NO)C(C2=CC=CC(=C2)COC(=O)NCC(=O)O)([N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)/C(=N/O)/C(C2=CC=CC(=C2)COC(=O)NCC(=O)O)([N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O8/c22-15(23)10-19-17(24)29-11-12-5-4-8-14(9-12)18(25,21(27)28)16(20-26)13-6-2-1-3-7-13/h1-9,25-26H,10-11H2,(H,19,24)(H,22,23)/b20-16-