1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea

Systemtic Name: 1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea Openeye Name: 1,3-dibenzyl-1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]urea CAS Name: 1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea IUPAC Name: 1,3-dibenzyl-1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]urea Traditional Name: 1,3-dibenzyl-1-[4-(2-nitrophenyl)imino-3,1-benzoxazin-2-yl]urea Formula: C29H23N5O4 MolecularWeight: 505.52402

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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=CC=CC=C5[N+](=O)[O-])O3

Isomeric SMILES

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

InChI

InChI=1S/C29H23N5O4/c35-28(30-19-21-11-3-1-4-12-21)33(20-22-13-5-2-6-14-22)29-32-24-16-8-7-15-23(24)27(38-29)31-25-17-9-10-18-26(25)34(36)37/h1-18H,19-20H2,(H,30,35)