[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] 4-nitrobenzoate

Systemtic Name: [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] 4-nitrobenzoate Openeye Name: [(E)-1-thiazol-2-ylethylideneamino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-1-(2-thiazolyl)ethylideneamino] ester IUPAC Name: [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-1-thiazol-2-ylethylideneamino] ester Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=NC=CS2

Isomeric SMILES

C/C(=N\OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C2=NC=CS2

InChI

InChI=1S/C12H9N3O4S/c1-8(11-13-6-7-20-11)14-19-12(16)9-2-4-10(5-3-9)15(17)18/h2-7H,1H3/b14-8+