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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-azanyl-4-nitro-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-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 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O6/c18-13-6-10(7-15-16(13)25-5-1-4-24-15)9-26-17(21)12-3-2-11(20(22)23)8-14(12)19/h2-3,6-8H,1,4-5,9,19H2