2-bromanyl-6-[[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]amino]methyl]-4-nitro-phenol

Systemtic Name: 2-bromanyl-6-[[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]amino]methyl]-4-nitro-phenol Openeye Name: 2-bromo-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl]-4-nitro-phenol CAS Name: 2-bromo-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl]-4-nitrophenol IUPAC Name: 2-bromo-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl]-4-nitrophenol Traditional Name: 2-bromo-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl]-4-nitro-phenol Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NCC4=CC(=CC(=C4O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NCC4=CC(=CC(=C4O)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O4/c1-12-3-6-18-20(7-12)30-22(25-18)14-5-4-13(2)19(9-14)24-11-15-8-16(26(28)29)10-17(23)21(15)27/h3-10,24,27H,11H2,1-2H3