3-[4-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one

Systemtic Name: 3-[4-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[4-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[4-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[4-[4-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

InChI

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