2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)butoxy]-4H-pyridine-3,5-dicarboxylate Formula: C28H31N3O8-2 MolecularWeight: 537.56104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCCCCNCCCOC2=CC=CC=C2)C)C(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1OCCCCNCCCOC2=CC=CC=C2)C)C(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H33N3O8/c1-19-24(27(32)33)26(21-10-8-11-22(18-21)31(36)37)25(28(34)35)20(2)30(19)39-17-7-6-14-29-15-9-16-38-23-12-4-3-5-13-23/h3-5,8,10-13,18,26,29H,6-7,9,14-17H2,1-2H3,(H,32,33)(H,34,35)/p-2