N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]-3-nitrobenzamide Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-N-piperonyl-benzamide Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5/c23-17-4-2-1-3-16(17)12-24-18-7-6-15(10-19(18)26(28)29)22(27)25-11-14-5-8-20-21(9-14)31-13-30-20/h1-10,24H,11-13H2,(H,25,27)