1-(3-nitrophenyl)ethyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 1,3-benzodioxole-5-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 1-(3-nitrophenyl)ethyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-10(11-3-2-4-13(7-11)17(19)20)23-16(18)12-5-6-14-15(8-12)22-9-21-14/h2-8,10H,9H2,1H3