(2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-2-pyridin-1-iumyl)amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-1-ium-2-yl)amino]propionate Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4/c21-16(22)13(19-15-14(20(23)24)6-3-7-17-15)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,13,18H,8H2,(H,17,19)(H,21,22)/t13-/m0/s1