5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine Openeye Name: 5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine CAS Name: 5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine Traditional Name: 5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC1)CC3=CN=CN3

Isomeric SMILES

C1CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC1)CC3=CN=CN3

InChI

InChI=1S/C13H14N4O3/c18-17(19)11-2-3-13-12(6-11)16(4-1-5-20-13)8-10-7-14-9-15-10/h2-3,6-7,9H,1,4-5,8H2,(H,14,15)