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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

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