ethyl 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)ONO3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)ONO3)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H17N3O6/c1-4-23-16(20)12-8(2)17-9(3)14(19(21)22)13(12)10-6-5-7-11-15(10)25-18-24-11/h5-7,13,17-18H,4H2,1-3H3