[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate CAS Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate Traditional Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C14H13N5O7S MolecularWeight: 395.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O7S/c1-2-25-14(22)17-11(20)6-26-12(21)8-3-4-10(9(5-8)19(23)24)27-13-15-7-16-18-13/h3-5,7H,2,6H2,1H3,(H,15,16,18)(H,17,20,22)