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

Systemtic Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylidene]pent-4-ynoate Openeye Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylene]pent-4-ynoate CAS Name: (2E)-2-[(2-azido-5-nitrophenyl)methylidene]-4-pentynoic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-azido-5-nitrophenyl)methylidene]pent-4-ynoate Traditional Name: (2E)-2-(2-azido-5-nitro-benzylidene)pent-4-ynoic acid methyl ester Formula: C13H10N4O4 MolecularWeight: 286.2429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O4/c1-3-4-9(13(18)21-2)7-10-8-11(17(19)20)5-6-12(10)15-16-14/h1,5-8H,4H2,2H3/b9-7+