4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-3-nitro-chromen-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-3-nitro-chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-3-nitro-chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-3-nitrochromen-2-one Traditional Name: 6-chloro-3-nitro-4-[(1-piperonyl-4-piperidyl)amino]coumarin Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C(=O)OC3=C2C=C(C=C3)Cl)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=C(C(=O)OC3=C2C=C(C=C3)Cl)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20ClN3O6/c23-14-2-4-17-16(10-14)20(21(26(28)29)22(27)32-17)24-15-5-7-25(8-6-15)11-13-1-3-18-19(9-13)31-12-30-18/h1-4,9-10,15,24H,5-8,11-12H2