4-butyl-2-[(4-nitrophenyl)methyl]benzoic acid

Systemtic Name: 4-butyl-2-[(4-nitrophenyl)methyl]benzoic acid Openeye Name: 4-butyl-2-[(4-nitrophenyl)methyl]benzoic acid CAS Name: 4-butyl-2-[(4-nitrophenyl)methyl]benzoic acid IUPAC Name: 4-butyl-2-[(4-nitrophenyl)methyl]benzoic acid Traditional Name: 4-butyl-2-(4-nitrobenzyl)benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-2-3-4-13-7-10-17(18(20)21)15(11-13)12-14-5-8-16(9-6-14)19(22)23/h5-11H,2-4,12H2,1H3,(H,20,21)