2-[4-[(5-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-5-oxidanylidene-oxolan-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

Systemtic Name: 2-[4-[(5-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-5-oxidanylidene-oxolan-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde Openeye Name: 6-[4-[(5-bromo-3-nitro-2-pyridyl)amino]-2-methyl-5-oxo-tetrahydrofuran-2-yl]tetralin-5-carbaldehyde CAS Name: 2-[4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methyl-5-oxo-2-oxolanyl]-5,6,7,8-tetrahydronaphthalene-1-carboxaldehyde IUPAC Name: 2-[4-[(5-bromo-3-nitropyridin-2-yl)amino]-2-methyl-5-oxooxolan-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde Traditional Name: 6-[4-[(5-bromo-3-nitro-2-pyridyl)amino]-5-keto-2-methyl-tetrahydrofuran-2-yl]tetralin-5-carbaldehyde Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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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=C(C4=C(CCCC4)C=C3)C=O

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=NC=C(C=C2[N+](=O)[O-])Br)C3=C(C4=C(CCCC4)C=C3)C=O

InChI

InChI=1S/C21H20BrN3O5/c1-21(16-7-6-12-4-2-3-5-14(12)15(16)11-26)9-17(20(27)30-21)24-19-18(25(28)29)8-13(22)10-23-19/h6-8,10-11,17H,2-5,9H2,1H3,(H,23,24)