dimethyl 2-[(1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)amino]but-2-enedioate

Systemtic Name: dimethyl 2-[(1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)amino]but-2-enedioate Openeye Name: dimethyl 2-[(1,3-diphenyltetrazol-1-ium-5-yl)amino]but-2-enedioate CAS Name: 2-[(1,3-diphenyl-5-tetrazol-1-iumyl)amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1,3-diphenyltetrazol-1-ium-5-yl)amino]but-2-enedioate Traditional Name: 2-[(1,3-diphenyltetrazol-1-ium-5-yl)amino]but-2-enedioic acid dimethyl ester Formula: C19H18N5O4+ MolecularWeight: 380.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=NN(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C=C(C(=O)OC)NC1=NN(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4/c1-27-17(25)13-16(18(26)28-2)20-19-21-24(15-11-7-4-8-12-15)22-23(19)14-9-5-3-6-10-14/h3-13H,1-2H3/p+1