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

Systemtic Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitro-phenolate Formula: C13H14N5O4- MolecularWeight: 304.28136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NN2C(=NN=C2C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\N2C(=NN=C2C)C

InChI

InChI=1S/C13H15N5O4/c1-4-22-12-6-10(5-11(13(12)19)18(20)21)7-14-17-8(2)15-16-9(17)3/h5-7,19H,4H2,1-3H3/p-1/b14-7-