[[(E)-[5-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]iminomethyl]amino] 4-nitrobenzoate

Systemtic Name: [[(E)-[5-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]iminomethyl]amino] 4-nitrobenzoate Openeye Name: [[(E)-[5-(5-bromo-2-thienyl)thiazol-2-yl]iminomethyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[(E)-[5-(5-bromo-2-thiophenyl)-2-thiazolyl]iminomethyl]amino] ester IUPAC Name: [[(E)-[5-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]iminomethyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [[(E)-[5-(5-bromo-2-thienyl)thiazol-2-yl]iminomethyl]amino] ester Formula: C15H9BrN4O4S2 MolecularWeight: 453.29036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)ONC=NC2=NC=C(S2)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)ON/C=N/C2=NC=C(S2)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN4O4S2/c16-13-6-5-11(25-13)12-7-17-15(26-12)18-8-19-24-14(21)9-1-3-10(4-2-9)20(22)23/h1-8H,(H,17,18,19)