methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylidene]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylidene]-5-phenyl-pent-4-ynoate Openeye Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylene]-5-phenyl-pent-4-ynoate CAS Name: (2E)-2-[(2-azido-5-nitrophenyl)methylidene]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-azido-5-nitrophenyl)methylidene]-5-phenylpent-4-ynoate Traditional Name: (2E)-2-(2-azido-5-nitro-benzylidene)-5-phenyl-pent-4-ynoic acid methyl ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])N=[N+]=[N-])CC#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])N=[N+]=[N-])/CC#CC2=CC=CC=C2

InChI

InChI=1S/C19H14N4O4/c1-27-19(24)15(9-5-8-14-6-3-2-4-7-14)12-16-13-17(23(25)26)10-11-18(16)21-22-20/h2-4,6-7,10-13H,9H2,1H3/b15-12+