methyl 2-[(2S,4R)-6-bromanyl-2-(5-methoxy-3-nitro-2-oxidanyl-phenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[(2S,4R)-6-bromanyl-2-(5-methoxy-3-nitro-2-oxidanyl-phenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[(2S,4R)-6-bromo-2-(2-hydroxy-5-methoxy-3-nitro-phenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate CAS Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,4R)-6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate Traditional Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxy-5-methoxy-3-nitro-phenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid methyl ester Formula: C24H22BrN3O6 MolecularWeight: 528.35198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2NC3=C(C=C(C=C3)Br)C(N2CC(=O)OC)C4=CC=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)[C@H]2NC3=C(C=C(C=C3)Br)[C@H](N2CC(=O)OC)C4=CC=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C24H22BrN3O6/c1-33-16-11-18(23(30)20(12-16)28(31)32)24-26-19-9-8-15(25)10-17(19)22(14-6-4-3-5-7-14)27(24)13-21(29)34-2/h3-12,22,24,26,30H,13H2,1-2H3/t22-,24+/m1/s1