(4-aminocarbonyl-2-nitro-phenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H11ClN2O7 MolecularWeight: 378.72074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O7/c17-11-3-10(5-13-14(11)26-7-25-13)16(21)24-6-9-2-1-8(15(18)20)4-12(9)19(22)23/h1-5H,6-7H2,(H2,18,20)