1-(3-nitrophenyl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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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)OCCCO3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H17NO6/c1-12(13-4-2-5-15(10-13)19(21)22)25-18(20)14-6-7-16-17(11-14)24-9-3-8-23-16/h2,4-7,10-12H,3,8-9H2,1H3