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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide Formula: C21H15ClN2O7 MolecularWeight: 442.806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O7/c1-28-19-8-12(21(25)23-14-4-7-17-20(10-14)30-11-29-17)2-5-18(19)31-16-6-3-13(22)9-15(16)24(26)27/h2-10H,11H2,1H3,(H,23,25)