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

Systemtic Name: (3S)-3-azaniumyl-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-(4-nitrobenzyl)oxyphenyl]propionate Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC=C(C=C2)C(CC(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)[C@H](CC(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c17-15(9-16(19)20)12-3-7-14(8-4-12)23-10-11-1-5-13(6-2-11)18(21)22/h1-8,15H,9-10,17H2,(H,19,20)/t15-/m0/s1