(3S)-3-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-4H-isochromen-1-one

Systemtic Name: (3S)-3-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-4H-isochromen-1-one Openeye Name: (3S)-3-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-isochromen-1-one Traditional Name: (3S)-3-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochroman-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-21(14-15-4-2-3-5-18(15)19(25)29-21)20(26)23-12-10-22(11-13-23)16-6-8-17(9-7-16)24(27)28/h2-9H,10-14H2,1H3/t21-/m0/s1