ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitro-benzoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitro-benzoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitro-benzoate CAS Name: 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoate Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-3-nitro-benzoic acid ethyl ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c1-2-21-16(18)10-3-5-13(12(7-10)17(19)20)24-11-4-6-14-15(8-11)23-9-22-14/h3-8H,2,9H2,1H3