phenethyl 2,6-dimethyl-5-nitro-4-(6-nitropyridin-2-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-nitropyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-nitro-2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(6-nitro-2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-nitropyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(6-nitro-2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=NC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=NC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O6/c1-13-18(21(26)31-12-11-15-7-4-3-5-8-15)19(20(25(29)30)14(2)22-13)16-9-6-10-17(23-16)24(27)28/h3-10,19,22H,11-12H2,1-2H3