(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-nitrobenzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-nitrobenzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C17H14ClNO6/c18-14-7-11(8-15-16(14)24-6-2-5-23-15)10-25-17(20)12-3-1-4-13(9-12)19(21)22/h1,3-4,7-9H,2,5-6,10H2