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2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid

2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid

Systemtic Name:2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid
Openeye Name:2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid
CAS Name:2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid
IUPAC Name:2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid
Traditional Name:2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine; sulfuric acid
Formula: C11H13N3O6S
MolecularWeight: 315.30242
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C(C1)C.OS(=O)(=O)O


Isomeric SMILES

CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C(C1)C.OS(=O)(=O)O


InChI

InChI=1S/C11H11N3O2.H2O4S/c1-7-5-8(2)13-11-6-9(14(15)16)3-4-10(11)12-7;1-5(2,3)4/h3-4,6H,5H2,1-2H3;(H2,1,2,3,4)


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