2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-1,4-dihydropyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]acetic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-10(2)30-20(27)17-12(4)22-11(3)16(19(26)21-9-15(24)25)18(17)13-6-5-7-14(8-13)23(28)29/h5-8,10,18,22H,9H2,1-4H3,(H,21,26)(H,24,25)