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

Systemtic Name: 3-[3-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[3-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[3-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[3-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbonyl]phenyl]coumarin Formula: C30H28N4O6 MolecularWeight: 540.56652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C30H28N4O6/c35-29(23-6-3-5-21(18-23)25-19-22-4-1-2-7-28(22)40-30(25)36)33-12-10-31(11-13-33)24-8-9-26(34(37)38)27(20-24)32-14-16-39-17-15-32/h1-9,18-20H,10-17H2