6-chloranyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-7-[(2-methoxy-5-nitro-phenyl)methoxy]-4-methyl-chromen-2-one CAS Name: 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-6-chloro-7-(2-methoxy-5-nitro-benzyl)oxy-4-methyl-coumarin Formula: C25H20ClNO6 MolecularWeight: 465.8824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO6/c1-15-19-12-21(26)24(32-14-17-11-18(27(29)30)8-9-22(17)31-2)13-23(19)33-25(28)20(15)10-16-6-4-3-5-7-16/h3-9,11-13H,10,14H2,1-2H3