3-azanylidene-6-(2-methylbutan-2-yl)benzo[g]isoindol-1-amine; ethanoic acid

Systemtic Name: 3-azanylidene-6-(2-methylbutan-2-yl)benzo[g]isoindol-1-amine; ethanoic acid Openeye Name: acetic acid; 6-(1,1-dimethylpropyl)-3-imino-benzo[g]isoindol-1-amine CAS Name: acetic acid; 3-imino-6-(2-methylbutan-2-yl)-1-benzo[g]isoindolamine IUPAC Name: acetic acid; 3-imino-6-(2-methylbutan-2-yl)benzo[g]isoindol-1-amine Traditional Name: acetic acid; (6-tert-amyl-3-imino-benz[g]isoindol-1-yl)amine Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=CC2=C1C=CC3=C2C(=NC3=N)N.CC(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC=CC2=C1C=CC3=C2C(=NC3=N)N.CC(=O)O

InChI

InChI=1S/C17H19N3.C2H4O2/c1-4-17(2,3)13-7-5-6-11-10(13)8-9-12-14(11)16(19)20-15(12)18;1-2(3)4/h5-9H,4H2,1-3H3,(H3,18,19,20);1H3,(H,3,4)