5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-carboxy-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C15H10N3O6- MolecularWeight: 328.2564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C#N)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C#N)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11N3O6/c1-7-11(14(19)20)12(13(15(21)22)10(6-16)17-7)8-3-2-4-9(5-8)18(23)24/h2-5,12,17H,1H3,(H,19,20)(H,21,22)/p-1