(2S)-2-[(3-chloranylpyrazin-2-yl)amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: (2S)-2-[(3-chloranylpyrazin-2-yl)amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: (2S)-2-[(3-chloropyrazin-2-yl)amino]-3-(4-nitrophenyl)propanoic acid CAS Name: (2S)-2-[(3-chloro-2-pyrazinyl)amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-[(3-chloropyrazin-2-yl)amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-[(3-chloropyrazin-2-yl)amino]-3-(4-nitrophenyl)propionic acid Formula: C13H11ClN4O4 MolecularWeight: 322.70384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=NC=CN=C2Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC2=NC=CN=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O4/c14-11-12(16-6-5-15-11)17-10(13(19)20)7-8-1-3-9(4-2-8)18(21)22/h1-6,10H,7H2,(H,16,17)(H,19,20)/t10-/m0/s1