dimethyl 2-[(5E)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]-5-[(5Z)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]hexanedioate

Systemtic Name: dimethyl 2-[(5E)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]-5-[(5Z)-5-pyrrol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]-5-[(5Z)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]hexanedioate CAS Name: 2-[(5E)-5-(2-pyrrolylidene)-1H-tetrazol-2-yl]-5-[(5Z)-5-(2-pyrrolylidene)-1H-tetrazol-2-yl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]-5-[(5Z)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]hexanedioate Traditional Name: 2-[(5E)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]-5-[(5Z)-5-pyrrol-2-ylidene-1H-tetrazol-2-yl]adipic acid dimethyl ester Formula: C18H20N10O4 MolecularWeight: 440.416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1NC(=C2C=CC=N2)N=N1)N3NC(=C4C=CC=N4)N=N3

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1N/C(=C/2\C=CC=N2)/N=N1)N3N/C(=C\4/C=CC=N4)/N=N3

InChI

InChI=1S/C18H20N10O4/c1-31-17(29)13(27-23-15(21-25-27)11-5-3-9-19-11)7-8-14(18(30)32-2)28-24-16(22-26-28)12-6-4-10-20-12/h3-6,9-10,13-14,23-24H,7-8H2,1-2H3/b15-11-,16-12+