3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-ethyl-7-[2-keto-2-(3-nitrophenyl)ethoxy]-4,8-dimethyl-coumarin Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)OC1=O)C

InChI

InChI=1S/C21H19NO6/c1-4-16-12(2)17-8-9-19(13(3)20(17)28-21(16)24)27-11-18(23)14-6-5-7-15(10-14)22(25)26/h5-10H,4,11H2,1-3H3