1-[(2-nitrophenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 1-[(2-nitrophenyl)methyl]indole-3-carboxylic acid Openeye Name: 1-[(2-nitrophenyl)methyl]indole-3-carboxylic acid CAS Name: 1-[(2-nitrophenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 1-[(2-nitrophenyl)methyl]indole-3-carboxylic acid Traditional Name: 1-(2-nitrobenzyl)indole-3-carboxylic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c19-16(20)13-10-17(15-8-4-2-6-12(13)15)9-11-5-1-3-7-14(11)18(21)22/h1-8,10H,9H2,(H,19,20)