4-[2-[(2-methyl-4-nitro-phenyl)carbonylamino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[(2-methyl-4-nitro-phenyl)carbonylamino]phenoxy]butanoic acid Openeye Name: 4-[2-[(2-methyl-4-nitro-benzoyl)amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(2-methyl-4-nitrophenyl)-oxomethyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[(2-methyl-4-nitrobenzoyl)amino]phenoxy]butanoic acid Traditional Name: 4-[2-[(2-methyl-4-nitro-benzoyl)amino]phenoxy]butyric acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2OCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2OCCCC(=O)O

InChI

InChI=1S/C18H18N2O6/c1-12-11-13(20(24)25)8-9-14(12)18(23)19-15-5-2-3-6-16(15)26-10-4-7-17(21)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,19,23)(H,21,22)