7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydrochromene-2,5-dione

Systemtic Name: 7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydrochromene-2,5-dione Openeye Name: 7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydrochromene-2,5-dione CAS Name: 7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydro-1-benzopyran-2,5-dione IUPAC Name: 7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydrochromene-2,5-dione Traditional Name: 7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydrochromene-2,5-quinone Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C17H17NO5/c1-17(2)8-13(19)16-12(7-15(20)23-14(16)9-17)10-4-3-5-11(6-10)18(21)22/h3-6,12H,7-9H2,1-2H3