3-[1-[2-(2-methylphenyl)ethanoylamino]ethyl]-4-nitro-benzoic acid

Systemtic Name: 3-[1-[2-(2-methylphenyl)ethanoylamino]ethyl]-4-nitro-benzoic acid Openeye Name: 4-nitro-3-[1-[[2-(o-tolyl)acetyl]amino]ethyl]benzoic acid CAS Name: 3-[1-[[2-(2-methylphenyl)-1-oxoethyl]amino]ethyl]-4-nitrobenzoic acid IUPAC Name: 3-[1-[[2-(2-methylphenyl)acetyl]amino]ethyl]-4-nitrobenzoic acid Traditional Name: 4-nitro-3-[1-[[2-(o-tolyl)acetyl]amino]ethyl]benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(C)C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(C)C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-11-5-3-4-6-13(11)10-17(21)19-12(2)15-9-14(18(22)23)7-8-16(15)20(24)25/h3-9,12H,10H2,1-2H3,(H,19,21)(H,22,23)