3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione

Systemtic Name: 3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione Openeye Name: 3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione CAS Name: 3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-1-benzopyran-2,5-dione IUPAC Name: 3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione Traditional Name: 3-(3-nitrobenzyl)-7,8-dihydro-6H-chromene-2,5-quinone Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=O)O2)CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=O)O2)CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C16H13NO5/c18-14-5-2-6-15-13(14)9-11(16(19)22-15)7-10-3-1-4-12(8-10)17(20)21/h1,3-4,8-9H,2,5-7H2