N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-3-nitro-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-chromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-butyl-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-butyl-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-butyl-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[(6-chloro-4-keto-chromen-3-yl)methyl-piperonyl-amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C31H28ClN3O8 MolecularWeight: 606.02232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H28ClN3O8/c1-2-3-11-33(31(38)21-5-4-6-24(13-21)35(39)40)17-29(36)34(15-20-7-9-27-28(12-20)43-19-42-27)16-22-18-41-26-10-8-23(32)14-25(26)30(22)37/h4-10,12-14,18H,2-3,11,15-17,19H2,1H3