2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN2O6/c1-2-10-6-16-13(8-14(10)21)11(7-17(24)29-16)9-22-19(25)12-4-3-5-15(23(27)28)18(12)20(22)26/h3-8H,2,9H2,1H3