(E)-1-azido-3-(2-methoxyphenyl)prop-2-en-1-one; ethyl (E)-4-azido-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-1-azido-3-(2-methoxyphenyl)prop-2-en-1-one; ethyl (E)-4-azido-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-azido-4-oxo-but-2-enoate; (E)-3-(2-methoxyphenyl)prop-2-enoyl azide CAS Name: (E)-1-azido-3-(2-methoxyphenyl)-2-propen-1-one; (E)-4-azido-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-azido-4-oxobut-2-enoate; (E)-3-(2-methoxyphenyl)prop-2-enoyl azide Traditional Name: (E)-4-azido-4-keto-but-2-enoic acid ethyl ester; (E)-1-azido-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)N=[N+]=[N-].COC1=CC=CC=C1C=CC(=O)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)N=[N+]=[N-].COC1=CC=CC=C1/C=C/C(=O)N=[N+]=[N-]

InChI

InChI=1S/C10H9N3O2.C6H7N3O3/c1-15-9-5-3-2-4-8(9)6-7-10(14)12-13-11;1-2-12-6(11)4-3-5(10)8-9-7/h2-7H,1H3;3-4H,2H2,1H3/b7-6+;4-3+