[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C15H15N3O8S MolecularWeight: 397.3599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C15H15N3O8S/c1-23-9-5-11(25-3)10(24-2)4-8(9)14(20)26-7-12(19)17-15-16-6-13(27-15)18(21)22/h4-6H,7H2,1-3H3,(H,16,17,19)