5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C12H12N5O5- MolecularWeight: 306.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=NC2=NC=NN2)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=NC2=NC=NN2)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C12H13N5O5/c1-3-22-10-4-7(8(17(19)20)5-9(10)21-2)11(18)15-12-13-6-14-16-12/h4-6H,3H2,1-2H3,(H2,13,14,15,16,18)/p-1