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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3,5-dimethyl-4-nitrobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]-3-phenyl-propionic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

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