2-[3,5-bis(ethoxycarbonyl)-4-(2-nitrophenyl)-4H-pyridin-1-yl]butanoic acid

Systemtic Name: 2-[3,5-bis(ethoxycarbonyl)-4-(2-nitrophenyl)-4H-pyridin-1-yl]butanoic acid Openeye Name: 2-[3,5-bis(ethoxycarbonyl)-4-(2-nitrophenyl)-4H-pyridin-1-yl]butanoic acid CAS Name: 2-[3,5-bis(ethoxycarbonyl)-4-(2-nitrophenyl)-4H-pyridin-1-yl]butanoic acid IUPAC Name: 2-[3,5-bis(ethoxycarbonyl)-4-(2-nitrophenyl)-4H-pyridin-1-yl]butanoic acid Traditional Name: 2-[3,5-dicarbethoxy-4-(2-nitrophenyl)-4H-pyridin-1-yl]butyric acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=C(C(C(=C1)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(C(=O)O)N1C=C(C(C(=C1)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H24N2O8/c1-4-16(19(24)25)22-11-14(20(26)30-5-2)18(15(12-22)21(27)31-6-3)13-9-7-8-10-17(13)23(28)29/h7-12,16,18H,4-6H2,1-3H3,(H,24,25)