4-butyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]-8-methyl-chromen-2-one

Systemtic Name: 4-butyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]-8-methyl-chromen-2-one Openeye Name: 4-butyl-7-[(2-methoxy-5-nitro-phenyl)methoxy]-8-methyl-chromen-2-one CAS Name: 4-butyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methylchromen-2-one Traditional Name: 4-butyl-7-(2-methoxy-5-nitro-benzyl)oxy-8-methyl-coumarin Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23NO6/c1-4-5-6-15-12-21(24)29-22-14(2)19(10-8-18(15)22)28-13-16-11-17(23(25)26)7-9-20(16)27-3/h7-12H,4-6,13H2,1-3H3