2-nitrooxyethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-nitrooxyethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-nitrooxyethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester Formula: C17H16N4O7 MolecularWeight: 388.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7/c1-10-14(9-18)16(12-4-3-5-13(8-12)20(23)24)15(11(2)19-10)17(22)27-6-7-28-21(25)26/h3-5,8,16,19H,6-7H2,1-2H3