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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=NC=C(C=C2[N+](=O)[O-])Br)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=NC=C(C=C2[N+](=O)[O-])Br)C3=CC=C(C=C3)C#N

InChI

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