4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitro-chromen-2-one

Systemtic Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitro-chromen-2-one Openeye Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-3-nitro-chromen-2-one CAS Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitrochromen-2-one Traditional Name: 4-[4-(1H-benzimidazol-2-yl)piperidino]-3-nitro-coumarin Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3N2)C4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3N2)C4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4/c26-21-19(25(27)28)18(14-5-1-4-8-17(14)29-21)24-11-9-13(10-12-24)20-22-15-6-2-3-7-16(15)23-20/h1-8,13H,9-12H2,(H,22,23)