3-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]propionic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-2-6-13(10-15(11)19(23)24)17(22)18-14-7-3-12(4-8-14)5-9-16(20)21/h2-4,6-8,10H,5,9H2,1H3,(H,18,22)(H,20,21)