(2-chloranyl-4-nitro-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (2-chloro-4-nitro-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClNO6/c17-12-8-11(18(20)21)3-5-13(12)24-16(19)6-2-10-1-4-14-15(7-10)23-9-22-14/h1,3-5,7-8H,2,6,9H2