6-bromanyl-2-methoxy-3-[(4-nitroimidazol-1-yl)-phenyl-methyl]quinoline

Systemtic Name: 6-bromanyl-2-methoxy-3-[(4-nitroimidazol-1-yl)-phenyl-methyl]quinoline Openeye Name: 6-bromo-2-methoxy-3-[(4-nitroimidazol-1-yl)-phenyl-methyl]quinoline CAS Name: 6-bromo-2-methoxy-3-[(4-nitro-1-imidazolyl)-phenylmethyl]quinoline IUPAC Name: 6-bromo-2-methoxy-3-[(4-nitroimidazol-1-yl)-phenylmethyl]quinoline Traditional Name: 6-bromo-2-methoxy-3-[(4-nitroimidazol-1-yl)-phenyl-methyl]quinoline Formula: C20H15BrN4O3 MolecularWeight: 439.2621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)N4C=C(N=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)N4C=C(N=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN4O3/c1-28-20-16(10-14-9-15(21)7-8-17(14)23-20)19(13-5-3-2-4-6-13)24-11-18(22-12-24)25(26)27/h2-12,19H,1H3