2-[3-[(3-nitrophenyl)methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-nitrophenyl)methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-nitrophenyl)methyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(3-nitrophenyl)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(3-nitrophenyl)methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-(3-nitrobenzyl)indol-1-yl]acetic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/c20-17(21)11-18-10-13(15-6-1-2-7-16(15)18)8-12-4-3-5-14(9-12)19(22)23/h1-7,9-10H,8,11H2,(H,20,21)