[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C14H13N3O7S MolecularWeight: 367.33392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H13N3O7S/c1-22-9-3-8(4-10(5-9)23-2)13(19)24-7-11(18)16-14-15-6-12(25-14)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)