4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(2,4-dinitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole Formula: C16H19N5O7S MolecularWeight: 425.41636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O7S/c1-11-16(12(2)28-17-11)29(26,27)19-7-3-6-18(8-9-19)14-5-4-13(20(22)23)10-15(14)21(24)25/h4-5,10H,3,6-9H2,1-2H3