N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1H-benzimidazol-2-amine; ethanoic acid

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1H-benzimidazol-2-amine; ethanoic acid Openeye Name: acetic acid; N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-1H-benzimidazol-2-amine CAS Name: acetic acid; N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1H-benzimidazol-2-amine IUPAC Name: acetic acid; N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1H-benzimidazol-2-amine Traditional Name: acetic acid; 1H-benzimidazol-2-yl-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]amine Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2N1)CCC3=CC4=C(C=C3)OCO4.CC(=O)O

Isomeric SMILES

C/C(=N\NC1=NC2=CC=CC=C2N1)/CCC3=CC4=C(C=C3)OCO4.CC(=O)O

InChI

InChI=1S/C18H18N4O2.C2H4O2/c1-12(6-7-13-8-9-16-17(10-13)24-11-23-16)21-22-18-19-14-4-2-3-5-15(14)20-18;1-2(3)4/h2-5,8-10H,6-7,11H2,1H3,(H2,19,20,22);1H3,(H,3,4)/b21-12+;