(2S)-2-[(5-nitropyridin-1-ium-2-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(5-nitropyridin-1-ium-2-yl)amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(5-nitropyridin-1-ium-2-yl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(5-nitro-2-pyridin-1-iumyl)amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(5-nitropyridin-1-ium-2-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-nitropyridin-1-ium-2-yl)amino]-3-phenyl-propionate Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c18-14(19)12(8-10-4-2-1-3-5-10)16-13-7-6-11(9-15-13)17(20)21/h1-7,9,12H,8H2,(H,15,16)(H,18,19)/t12-/m0/s1