5,7-dimethoxy-3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]chromen-2-one

Systemtic Name: 5,7-dimethoxy-3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]chromen-2-one Openeye Name: 5,7-dimethoxy-3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]chromen-2-one CAS Name: 5,7-dimethoxy-3-[(4-methoxy-3-nitrophenyl)methylsulfonyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethoxy-3-[(4-methoxy-3-nitrophenyl)methylsulfonyl]chromen-2-one Traditional Name: 5,7-dimethoxy-3-(4-methoxy-3-nitro-benzyl)sulfonyl-coumarin Formula: C19H17NO9S MolecularWeight: 435.40458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C(C=C3OC2=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C(C=C3OC2=O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO9S/c1-26-12-7-16(28-3)13-9-18(19(21)29-17(13)8-12)30(24,25)10-11-4-5-15(27-2)14(6-11)20(22)23/h4-9H,10H2,1-3H3