methyl 4-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c1-22-11(19)8-2-4-9(5-3-8)14-10(18)6-16-7-13-12(15-16)17(20)21/h2-5,7H,6H2,1H3,(H,14,18)