N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(chloranyl)propan-2-ylamino]-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(chloranyl)propan-2-ylamino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-chloro-1-(chloromethyl)ethyl]amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dichloropropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dichloropropan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-[[2-chloro-1-(chloromethyl)ethyl]amino]-5-nitro-N-piperonyl-benzamide Formula: C18H17Cl2N3O5 MolecularWeight: 426.25068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CCl)CCl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CCl)CCl

InChI

InChI=1S/C18H17Cl2N3O5/c19-7-12(8-20)22-15-3-2-13(23(25)26)6-14(15)18(24)21-9-11-1-4-16-17(5-11)28-10-27-16/h1-6,12,22H,7-10H2,(H,21,24)