2-[5-ethoxycarbonyl-6-(imidazol-1-ylmethyl)-3-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]ethanoic acid

Systemtic Name: 2-[5-ethoxycarbonyl-6-(imidazol-1-ylmethyl)-3-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]ethanoic acid Openeye Name: 2-[5-ethoxycarbonyl-6-(imidazol-1-ylmethyl)-3-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]acetic acid CAS Name: 2-[5-ethoxycarbonyl-6-(1-imidazolylmethyl)-3-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]acetic acid IUPAC Name: 2-[5-ethoxycarbonyl-6-(imidazol-1-ylmethyl)-3-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]acetic acid Traditional Name: 2-[5-carbethoxy-3-carbomethoxy-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]acetic acid Formula: C22H22N4O8 MolecularWeight: 470.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC(=O)O)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C22H22N4O8/c1-3-34-22(30)20-16(11-25-8-7-23-12-25)24-15(10-17(27)28)19(21(29)33-2)18(20)13-5-4-6-14(9-13)26(31)32/h4-9,12,18,24H,3,10-11H2,1-2H3,(H,27,28)