N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-nitro-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-nitro-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-7-nitro-4-oxo-chromene-2-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-7-nitro-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-nitro-4-oxochromene-2-carboxamide Traditional Name: 4-keto-7-nitro-N-(1-piperonyl-4-piperidyl)chromene-2-carboxamide Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O7/c27-18-11-22(33-20-10-16(26(29)30)2-3-17(18)20)23(28)24-15-5-7-25(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15H,5-8,12-13H2,(H,24,28)