2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium

Systemtic Name: 2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium Openeye Name: 2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium CAS Name: 2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium IUPAC Name: 2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium Traditional Name: 2,4-dimethyl-8-nitro-1H-1,5-benzodiazepin-5-ium Formula: C11H12N3O2+ MolecularWeight: 218.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)[N+](=O)[O-])C

InChI

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