1H-indole-3-carbonitrile; 4-nitrobenzoic acid

Systemtic Name: 1H-indole-3-carbonitrile; 4-nitrobenzoic acid Openeye Name: 1H-indole-3-carbonitrile; 4-nitrobenzoic acid CAS Name: 1H-indole-3-carbonitrile; 4-nitrobenzoic acid IUPAC Name: 1H-indole-3-carbonitrile; 4-nitrobenzoic acid Traditional Name: 1H-indole-3-carbonitrile; 4-nitrobenzoic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C#N.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C#N.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2.C7H5NO4/c10-5-7-6-11-9-4-2-1-3-8(7)9;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,6,11H;1-4H,(H,9,10)