6-nitro-3-prop-2-enyl-chromen-2-one

Systemtic Name: 6-nitro-3-prop-2-enyl-chromen-2-one Openeye Name: 3-allyl-6-nitro-chromen-2-one CAS Name: 6-nitro-3-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 6-nitro-3-prop-2-enylchromen-2-one Traditional Name: 3-allyl-6-nitro-coumarin Formula: C12H9NO4 MolecularWeight: 231.20416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

C=CCC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C12H9NO4/c1-2-3-8-6-9-7-10(13(15)16)4-5-11(9)17-12(8)14/h2,4-7H,1,3H2