4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-benzyl-5-[2-keto-2-(3-nitrophenyl)ethoxy]-4,7-dimethyl-coumarin Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO6/c1-16-11-23(32-15-22(28)19-9-6-10-20(14-19)27(30)31)25-17(2)21(26(29)33-24(25)12-16)13-18-7-4-3-5-8-18/h3-12,14H,13,15H2,1-2H3