4-[1-[(3-nitrophenyl)methyl]indol-3-yl]butanoic acid

Systemtic Name: 4-[1-[(3-nitrophenyl)methyl]indol-3-yl]butanoic acid Openeye Name: 4-[1-[(3-nitrophenyl)methyl]indol-3-yl]butanoic acid CAS Name: 4-[1-[(3-nitrophenyl)methyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-[(3-nitrophenyl)methyl]indol-3-yl]butanoic acid Traditional Name: 4-[1-(3-nitrobenzyl)indol-3-yl]butyric acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C19H18N2O4/c22-19(23)10-4-6-15-13-20(18-9-2-1-8-17(15)18)12-14-5-3-7-16(11-14)21(24)25/h1-3,5,7-9,11,13H,4,6,10,12H2,(H,22,23)