3-butyl-4,8-dimethyl-6-nitro-7-oxidanyl-chromen-2-one

Systemtic Name: 3-butyl-4,8-dimethyl-6-nitro-7-oxidanyl-chromen-2-one Openeye Name: 3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-chromen-2-one CAS Name: 3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-1-benzopyran-2-one IUPAC Name: 3-butyl-7-hydroxy-4,8-dimethyl-6-nitrochromen-2-one Traditional Name: 3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-coumarin Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)[N+](=O)[O-])C

InChI

InChI=1S/C15H17NO5/c1-4-5-6-10-8(2)11-7-12(16(19)20)13(17)9(3)14(11)21-15(10)18/h7,17H,4-6H2,1-3H3