2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]acetamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O4S/c1-10(2)13-7-14(18)11(3)6-15(13)25-9-16(22)20-19-8-12-4-5-17(26-12)21(23)24/h4-8,10H,9H2,1-3H3,(H,20,22)/b19-8+