(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H16ClNO8 MolecularWeight: 409.77454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)OC

InChI

InChI=1S/C18H16ClNO8/c1-3-25-15-7-13(20(22)23)11(6-14(15)24-2)18(21)26-8-10-4-12(19)17-16(5-10)27-9-28-17/h4-7H,3,8-9H2,1-2H3