3-[(3,4-dimethylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[(3,4-dimethylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(3,4-dimethylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(3,4-dimethylbenzoyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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