O3-methyl O5-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxidanidyl-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxidanidyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-methyl 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxido-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxidopyridin-1-ium-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester IUPAC Name: 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxidopyridin-1-ium-3,5-dicarboxylate Traditional Name: 2-cyano-6-methyl-4-(3-nitrophenyl)-1-oxido-pyridin-1-ium-3,5-dicarboxylic acid O5-isopropyl ester O3-methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N)[O-]

InChI

InChI=1S/C19H17N3O7/c1-10(2)29-19(24)15-11(3)21(25)14(9-20)17(18(23)28-4)16(15)12-6-5-7-13(8-12)22(26)27/h5-8,10H,1-4H3