N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-N-piperonyl-benzamide Formula: C22H17ClN2O7 MolecularWeight: 456.83258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O7/c1-29-20-9-14(22(26)24-11-13-2-5-18-21(8-13)31-12-30-18)3-6-19(20)32-17-7-4-15(23)10-16(17)25(27)28/h2-10H,11-12H2,1H3,(H,24,26)