4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-5-[2-keto-2-(3-nitrophenyl)ethoxy]-7-methyl-coumarin Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6/c1-3-4-6-16-12-21(25)29-20-10-14(2)9-19(22(16)20)28-13-18(24)15-7-5-8-17(11-15)23(26)27/h5,7-12H,3-4,6,13H2,1-2H3