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

Systemtic Name: 6-chloranyl-4-methyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-benzyl-6-chloro-7-[2-keto-2-(3-nitrophenyl)ethoxy]-4-methyl-coumarin Formula: C25H18ClNO6 MolecularWeight: 463.86652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H18ClNO6/c1-15-19-12-21(26)24(32-14-22(28)17-8-5-9-18(11-17)27(30)31)13-23(19)33-25(29)20(15)10-16-6-3-2-4-7-16/h2-9,11-13H,10,14H2,1H3