3-[(4-chloranyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(4-chloranyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-benzyloxy-4-chloro-2-nitro-benzoyl)amino]propanoic acid CAS Name: 3-[[(4-chloro-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-chloro-2-nitro-3-phenylmethoxybenzoyl)amino]propanoic acid Traditional Name: 3-[(3-benzoxy-4-chloro-2-nitro-benzoyl)amino]propionic acid Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2[N+](=O)[O-])C(=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2[N+](=O)[O-])C(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C17H15ClN2O6/c18-13-7-6-12(17(23)19-9-8-14(21)22)15(20(24)25)16(13)26-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,23)(H,21,22)