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

Systemtic Name: 2-nitrooxyethyl 5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-nitrooxyethyl 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-nitrooxyethyl ester Formula: C18H19N3O8 MolecularWeight: 405.35876

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O8/c1-10-15(12(3)22)17(13-5-4-6-14(9-13)20(24)25)16(11(2)19-10)18(23)28-7-8-29-21(26)27/h4-6,9,17,19H,7-8H2,1-3H3