2-[[2,4-dimethyl-6-(3-nitrophenyl)-4-pyridin-3-yl-1H-pyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2,4-dimethyl-6-(3-nitrophenyl)-4-pyridin-3-yl-1H-pyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2,4-dimethyl-6-(3-nitrophenyl)-4-(3-pyridyl)-1H-pyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[2,4-dimethyl-6-(3-nitrophenyl)-4-(3-pyridinyl)-1H-pyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2,4-dimethyl-6-(3-nitrophenyl)-4-pyridin-3-yl-1H-pyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[2,4-dimethyl-6-(3-nitrophenyl)-4-(3-pyridyl)-1H-pyridine-3-carbonyl]amino]acetic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)C3=CN=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C(C=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)C3=CN=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C21H20N4O5/c1-13-19(20(28)23-12-18(26)27)21(2,15-6-4-8-22-11-15)10-17(24-13)14-5-3-7-16(9-14)25(29)30/h3-11,24H,12H2,1-2H3,(H,23,28)(H,26,27)