N2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-N1-phenyl-benzene-1,2-diamine

Systemtic Name: N2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-N1-phenyl-benzene-1,2-diamine Openeye Name: N2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-N1-phenyl-benzene-1,2-diamine CAS Name: N2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-N1-phenylbenzene-1,2-diamine IUPAC Name: 2-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-1-N-phenylbenzene-1,2-diamine Traditional Name: (2-anilino-5-nitro-phenyl)-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CNC3=C(C=CC(=C3)[N+](=O)[O-])NC4=CC=CC=C4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CNC3=C(C=CC(=C3)[N+](=O)[O-])NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O4/c22-16-8-14(21-15(9-16)12-28-13-29-21)11-23-20-10-18(25(26)27)6-7-19(20)24-17-4-2-1-3-5-17/h1-10,23-24H,11-13H2