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

Systemtic Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylidene]hex-4-ynoate Openeye Name: methyl (2E)-2-[(2-azido-5-nitro-phenyl)methylene]hex-4-ynoate CAS Name: (2E)-2-[(2-azido-5-nitrophenyl)methylidene]-4-hexynoic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-azido-5-nitrophenyl)methylidene]hex-4-ynoate Traditional Name: (2E)-2-(2-azido-5-nitro-benzylidene)hex-4-ynoic acid methyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O4/c1-3-4-5-10(14(19)22-2)8-11-9-12(18(20)21)6-7-13(11)16-17-15/h6-9H,5H2,1-2H3/b10-8+