2-[(E)-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]cinchoninic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4/c1-13(2)16-10-8-14(11-20(16)23(26)27)7-9-15-12-18(21(24)25)17-5-3-4-6-19(17)22-15/h3-13H,1-2H3,(H,24,25)/b9-7+