4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-benzene-1,3-diolate

Systemtic Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-benzene-1,3-diolate Openeye Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-benzene-1,3-diolate CAS Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitrobenzene-1,3-diolate IUPAC Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitrobenzene-1,3-diolate Traditional Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-benzene-1,3-diolate Formula: C11H9N5O4-2 MolecularWeight: 275.22026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=C(C=C2[O-])[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=NN=C(N1/N=C\C2=CC(=C(C=C2[O-])[O-])[N+](=O)[O-])C

InChI

InChI=1S/C11H11N5O4/c1-6-13-14-7(2)15(6)12-5-8-3-9(16(19)20)11(18)4-10(8)17/h3-5,17-18H,1-2H3/p-2/b12-5-