1H-indole; 4-nitrobenzoic acid

Systemtic Name: 1H-indole; 4-nitrobenzoic acid Openeye Name: indole; 4-nitrobenzoic acid CAS Name: 1H-indole; 4-nitrobenzoic acid IUPAC Name: 1H-indole; 4-nitrobenzoic acid Traditional Name: indole; 4-nitrobenzoic acid Formula: C22H17N3O8 MolecularWeight: 451.38568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N.2C7H5NO4/c1-2-4-8-7(3-1)5-6-9-8;2*9-7(10)5-1-3-6(4-2-5)8(11)12/h1-6,9H;2*1-4H,(H,9,10)