4-butyl-6-chloranyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[2-keto-2-(3-nitrophenyl)ethoxy]coumarin Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClNO6/c1-2-3-5-13-9-21(25)29-19-11-20(17(22)10-16(13)19)28-12-18(24)14-6-4-7-15(8-14)23(26)27/h4,6-11H,2-3,5,12H2,1H3