2-bromoethyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-bromoethyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-bromoethyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-bromoethyl ester Formula: C16H16BrN3O6 MolecularWeight: 426.21874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O6/c1-9-13(16(21)26-7-6-17)14(15(20(24)25)10(2)18-9)11-4-3-5-12(8-11)19(22)23/h3-5,8,14,18H,6-7H2,1-2H3