(3S)-3-azaniumyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]propionate Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-24-16-8-12(14(18)9-17(20)21)4-7-15(16)25-10-11-2-5-13(6-3-11)19(22)23/h2-8,14H,9-10,18H2,1H3,(H,20,21)/t14-/m0/s1