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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H14N2O6 MolecularWeight: 378.33496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H14N2O6/c1-10-6-14-12(8-17(23)28-16(14)7-11(10)2)9-21-19(24)13-4-3-5-15(22(26)27)18(13)20(21)25/h3-8H,9H2,1-2H3