benzoic acid; ethanoic acid; 1H-indole-3-carbonitrile

Systemtic Name: benzoic acid; ethanoic acid; 1H-indole-3-carbonitrile Openeye Name: acetic acid; benzoic acid; 1H-indole-3-carbonitrile CAS Name: acetic acid; benzoic acid; 1H-indole-3-carbonitrile IUPAC Name: acetic acid; benzoic acid; 1H-indole-3-carbonitrile Traditional Name: acetic acid; benzoic acid; 1H-indole-3-carbonitrile Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=CN2)C#N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=CN2)C#N

InChI

InChI=1S/C9H6N2.C7H6O2.C2H4O2/c10-5-7-6-11-9-4-2-1-3-8(7)9;8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-4,6,11H;1-5H,(H,8,9);1H3,(H,3,4)