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

Systemtic Name: 3-[3-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[3-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[3-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[3-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]coumarin Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O6/c1-35-21-9-10-23(24(17-21)30(33)34)28-11-13-29(14-12-28)26(31)20-7-4-6-18(15-20)22-16-19-5-2-3-8-25(19)36-27(22)32/h2-10,15-17H,11-14H2,1H3