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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c22-15(20-18-19-10-16(28-18)21(24)25)11-26-17(23)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,22)