ethyl 2-[2-[(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]-4-bromanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]-4-bromanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[(5-aminotetrazol-1-yl)iminomethyl]-4-bromo-phenoxy]acetate CAS Name: 2-[2-[(5-amino-1-tetrazolyl)iminomethyl]-4-bromophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenoxy]acetate Traditional Name: 2-[2-[(5-aminotetrazol-1-yl)iminomethyl]-4-bromo-phenoxy]acetic acid ethyl ester Formula: C12H13BrN6O3 MolecularWeight: 369.17402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C=NN2C(=NN=N2)N

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C=NN2C(=NN=N2)N

InChI

InChI=1S/C12H13BrN6O3/c1-2-21-11(20)7-22-10-4-3-9(13)5-8(10)6-15-19-12(14)16-17-18-19/h3-6H,2,7H2,1H3,(H2,14,16,18)