2-(4-chlorophenyl)carbonyl-3,3-bis(propylamino)prop-2-enenitrile; ethanedioic acid

Systemtic Name: 2-(4-chlorophenyl)carbonyl-3,3-bis(propylamino)prop-2-enenitrile; ethanedioic acid Openeye Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)prop-2-enenitrile; oxalic acid CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3,3-bis(propylamino)-2-propenenitrile; oxalic acid IUPAC Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)prop-2-enenitrile; oxalic acid Traditional Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)acrylonitrile; oxalic acid Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20ClN3O.C2H2O4/c1-3-9-19-16(20-10-4-2)14(11-18)15(21)12-5-7-13(17)8-6-12;3-1(4)2(5)6/h5-8,19-20H,3-4,9-10H2,1-2H3;(H,3,4)(H,5,6)