3-(4-chloranyl-2-nitro-phenyl)carbonyl-2-oxidanyl-5,6,7,8-tetrahydrochromen-4-one

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)carbonyl-2-oxidanyl-5,6,7,8-tetrahydrochromen-4-one Openeye Name: 3-(4-chloro-2-nitro-benzoyl)-2-hydroxy-5,6,7,8-tetrahydrochromen-4-one CAS Name: 3-[(4-chloro-2-nitrophenyl)-oxomethyl]-2-hydroxy-5,6,7,8-tetrahydro-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-2-nitrobenzoyl)-2-hydroxy-5,6,7,8-tetrahydrochromen-4-one Traditional Name: 3-(4-chloro-2-nitro-benzoyl)-2-hydroxy-5,6,7,8-tetrahydrochromen-4-one Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C(=C(O2)O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)C(=C(O2)O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO6/c17-8-5-6-9(11(7-8)18(22)23)14(19)13-15(20)10-3-1-2-4-12(10)24-16(13)21/h5-7,21H,1-4H2