4-[(5-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile

Systemtic Name: 4-[(5-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile Openeye Name: 4-[(5-bromo-3-nitro-2-pyridyl)amino]-2-methyl-3-(5-oxotetrahydrofuran-2-yl)benzonitrile CAS Name: 4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methyl-3-(5-oxo-2-oxolanyl)benzonitrile IUPAC Name: 4-[(5-bromo-3-nitropyridin-2-yl)amino]-2-methyl-3-(5-oxooxolan-2-yl)benzonitrile Traditional Name: 4-[(5-bromo-3-nitro-2-pyridyl)amino]-3-(5-ketotetrahydrofuran-2-yl)-2-methyl-benzonitrile Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2CCC(=O)O2)NC3=NC=C(C=C3[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C2CCC(=O)O2)NC3=NC=C(C=C3[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C17H13BrN4O4/c1-9-10(7-19)2-3-12(16(9)14-4-5-15(23)26-14)21-17-13(22(24)25)6-11(18)8-20-17/h2-3,6,8,14H,4-5H2,1H3,(H,20,21)