4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-(3-nitrophenyl)ethoxy]-8-methyl-coumarin Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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