(3S)-N-[(Z)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(Z)-(4-bromo-3-nitro-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(Z)-(4-bromo-3-nitro-benzylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H12BrN3O5 MolecularWeight: 406.18758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)N/N=C\C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O5/c17-11-6-5-10(7-12(11)20(22)23)8-18-19-16(21)15-9-24-13-3-1-2-4-14(13)25-15/h1-8,15H,9H2,(H,19,21)/b18-8-/t15-/m0/s1