3-[4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-5-nitro-benzoyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(2-chloro-5-nitro-benzoyl)amino]phenyl]propionic acid Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5/c17-14-7-6-12(19(23)24)9-13(14)16(22)18-11-4-1-10(2-5-11)3-8-15(20)21/h1-2,4-7,9H,3,8H2,(H,18,22)(H,20,21)