1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: 1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: 1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate IUPAC Name: 1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(4-acetamidobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Formula: C21H23N3O8-2 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCCCCNC(=O)C)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1OCCCCNC(=O)C)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H25N3O8/c1-12-17(20(26)27)19(15-7-6-8-16(11-15)24(30)31)18(21(28)29)13(2)23(12)32-10-5-4-9-22-14(3)25/h6-8,11,19H,4-5,9-10H2,1-3H3,(H,22,25)(H,26,27)(H,28,29)/p-2