(3S)-3-azaniumyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]propanoate CAS Name: (3S)-3-ammonio-3-[1-(4-nitrophenyl)-2-pyrrolyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[1-(4-nitrophenyl)pyrrol-2-yl]propionate Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-11(8-13(17)18)12-2-1-7-15(12)9-3-5-10(6-4-9)16(19)20/h1-7,11H,8,14H2,(H,17,18)/t11-/m0/s1