(4-aminocarbonyl-2-nitro-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C18H15ClN2O7/c19-13-6-12(8-15-16(13)27-5-1-4-26-15)18(23)28-9-11-3-2-10(17(20)22)7-14(11)21(24)25/h2-3,6-8H,1,4-5,9H2,(H2,20,22)