5-nitro-2-prop-2-enyl-isoquinolin-1-one

Systemtic Name: 5-nitro-2-prop-2-enyl-isoquinolin-1-one Openeye Name: 2-allyl-5-nitro-isoquinolin-1-one CAS Name: 5-nitro-2-prop-2-enyl-1-isoquinolinone IUPAC Name: 5-nitro-2-prop-2-enylisoquinolin-1-one Traditional Name: 2-allyl-5-nitro-isocarbostyril Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O3/c1-2-7-13-8-6-9-10(12(13)15)4-3-5-11(9)14(16)17/h2-6,8H,1,7H2