3-[[5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonylamino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonylamino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[[5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[[5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethyl]amino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[[5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid Traditional Name: 3-[[5-carbomethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]-2,2-dimethyl-propionic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)NCC(C)(C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)NCC(C)(C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

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