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

Systemtic Name: 2-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]cinchoninic acid Formula: C18H11BrN2O4 MolecularWeight: 399.19494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H11BrN2O4/c19-15-8-6-11(9-17(15)21(24)25)5-7-12-10-14(18(22)23)13-3-1-2-4-16(13)20-12/h1-10H,(H,22,23)/b7-5+