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

Systemtic Name: methyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(3-nitro-1,2,4-triazol-1-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O5/c1-24-13(21)10-5-2-3-6-11(10)16-12(20)7-4-8-18-9-15-14(17-18)19(22)23/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)