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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O5S/c1-8-3-4-10(5-9(8)2)13(19)22-7-11(18)16-14-15-6-12(23-14)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)