4-methyl-3-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 4-methyl-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 4-methyl-3-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 4-methyl-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-3-nitro-benzamide Formula: C13H13N7O5 MolecularWeight: 347.28622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=C(C)CN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C(\C)/CN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O5/c1-8-3-4-10(5-11(8)19(22)23)12(21)16-15-9(2)6-18-7-14-13(17-18)20(24)25/h3-5,7H,6H2,1-2H3,(H,16,21)/b15-9+