4-methyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethoxy]-4-methyl-coumarin Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-15-12-22(27)31-20-13-18(6-7-19(15)20)30-14-21(26)24-10-8-23(9-11-24)16-2-4-17(5-3-16)25(28)29/h2-7,12-13H,8-11,14H2,1H3