3-[3-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one

Systemtic Name: 3-[3-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[3-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[3-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[3-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbonyl]phenyl]coumarin Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H20ClN3O5/c27-22-16-20(30(33)34)8-9-23(22)28-10-12-29(13-11-28)25(31)19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)35-26(21)32/h1-9,14-16H,10-13H2