3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-methyl-6-(4-nitrobenzyl)oxy-coumarin Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H21NO7/c1-15-20-13-19(32-14-16-4-7-18(8-5-16)26(28)29)9-11-21(20)33-25(27)24(15)17-6-10-22(30-2)23(12-17)31-3/h4-13H,14H2,1-3H3