ethanedioic acid; 2-[[1-(4-ethoxyphenyl)pyrrolidin-2-ylidene]amino]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[[1-(4-ethoxyphenyl)pyrrolidin-2-ylidene]amino]benzenecarbonitrile Openeye Name: 2-[[1-(4-ethoxyphenyl)pyrrolidin-2-ylidene]amino]benzonitrile; oxalic acid CAS Name: 2-[[1-(4-ethoxyphenyl)-2-pyrrolidinylidene]amino]benzonitrile; oxalic acid IUPAC Name: 2-[[1-(4-ethoxyphenyl)pyrrolidin-2-ylidene]amino]benzonitrile; oxalic acid Traditional Name: oxalic acid; 2-[(1-p-phenetylpyrrolidin-2-ylidene)amino]benzonitrile Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCCC2=NC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCCC2=NC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19N3O.C2H2O4/c1-2-23-17-11-9-16(10-12-17)22-13-5-8-19(22)21-18-7-4-3-6-15(18)14-20;3-1(4)2(5)6/h3-4,6-7,9-12H,2,5,8,13H2,1H3;(H,3,4)(H,5,6)