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

Systemtic Name: 4-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]butanoic acid Openeye Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]butyric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-5-8-14(11-16(12)20(24)25)18(23)19-15-9-6-13(7-10-15)3-2-4-17(21)22/h5-11H,2-4H2,1H3,(H,19,23)(H,21,22)