N-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-(2-nitrophenyl)ethanamide

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2-(2-nitrophenyl)acetamide CAS Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide Traditional Name: N-[(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)amino]-2-(2-nitrophenyl)acetamide Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])Br)OCC#C

InChI

InChI=1S/C20H18BrN3O5/c1-3-9-29-20-16(21)10-14(11-18(20)28-4-2)13-22-23-19(25)12-15-7-5-6-8-17(15)24(26)27/h1,5-8,10-11,13H,4,9,12H2,2H3,(H,23,25)