5-[[(4-nitrophenyl)methyl-propan-2-yl-amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(4-nitrophenyl)methyl-propan-2-yl-amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[isopropyl-[(4-nitrophenyl)methyl]amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[(4-nitrophenyl)methyl-propan-2-ylamino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(4-nitrophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[isopropyl-(4-nitrobenzyl)amino]methyl]-2-furoic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-11(2)17(10-14-7-8-15(23-14)16(19)20)9-12-3-5-13(6-4-12)18(21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)