1-[4-(2-bromanyl-5-nitro-phenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea

Systemtic Name: 1-[4-(2-bromanyl-5-nitro-phenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea Openeye Name: 1,3-dibenzyl-1-[4-(2-bromo-5-nitro-phenyl)imino-3,1-benzoxazin-2-yl]urea CAS Name: 1-[4-(2-bromo-5-nitrophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea IUPAC Name: 1,3-dibenzyl-1-[4-(2-bromo-5-nitrophenyl)imino-3,1-benzoxazin-2-yl]urea Traditional Name: 1,3-dibenzyl-1-[4-(2-bromo-5-nitro-phenyl)imino-3,1-benzoxazin-2-yl]urea Formula: C29H22BrN5O4 MolecularWeight: 584.42008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=NC5=C(C=CC(=C5)[N+](=O)[O-])Br)O3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=NC5=C(C=CC(=C5)[N+](=O)[O-])Br)O3

InChI

InChI=1S/C29H22BrN5O4/c30-24-16-15-22(35(37)38)17-26(24)32-27-23-13-7-8-14-25(23)33-29(39-27)34(19-21-11-5-2-6-12-21)28(36)31-18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,31,36)