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

Systemtic Name: 2-nitrooxyethyl 2,6-dimethyl-5-(methylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-nitrooxyethyl 2,6-dimethyl-5-(methylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-(methylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 2,6-dimethyl-5-(methylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-(methylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester Formula: C18H20N4O8 MolecularWeight: 420.3734

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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(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O8/c1-10-14(17(23)19-3)16(12-5-4-6-13(9-12)21(25)26)15(11(2)20-10)18(24)29-7-8-30-22(27)28/h4-6,9,16,20H,7-8H2,1-3H3,(H,19,23)