N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4-dinitro-aniline CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4-dinitroaniline IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4-dinitroaniline Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(2,4-dinitrophenyl)amine Formula: C16H14ClN3O6 MolecularWeight: 379.75186

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C16H14ClN3O6/c17-12-6-10(7-15-16(12)26-5-1-4-25-15)9-18-13-3-2-11(19(21)22)8-14(13)20(23)24/h2-3,6-8,18H,1,4-5,9H2