methyl 3-[2-(diethylaminodiazenyl)-5-nitro-phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-(diethylaminodiazenyl)-5-nitro-phenyl]prop-2-ynoate Openeye Name: methyl 3-[2-(diethylaminoazo)-5-nitro-phenyl]prop-2-ynoate CAS Name: 3-[2-(diethylaminoazo)-5-nitrophenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-(diethylaminodiazenyl)-5-nitrophenyl]prop-2-ynoate Traditional Name: 3-[2-(diethylaminoazo)-5-nitro-phenyl]propiolic acid methyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)N=NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC(=O)OC

Isomeric SMILES

CCN(CC)N=NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC(=O)OC

InChI

InChI=1S/C14H16N4O4/c1-4-17(5-2)16-15-13-8-7-12(18(20)21)10-11(13)6-9-14(19)22-3/h7-8,10H,4-5H2,1-3H3