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

Systemtic Name: 4-butyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-7-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-(3-nitrophenyl)ethoxy]coumarin Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-2-3-5-14-11-21(24)28-20-12-17(8-9-18(14)20)27-13-19(23)15-6-4-7-16(10-15)22(25)26/h4,6-12H,2-3,5,13H2,1H3