N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-3-nitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-3-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-nitroaniline Traditional Name: (4-chloro-3-nitro-phenyl)-piperonyl-amine Formula: C14H11ClN2O4 MolecularWeight: 306.70114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O4/c15-11-3-2-10(6-12(11)17(18)19)16-7-9-1-4-13-14(5-9)21-8-20-13/h1-6,16H,7-8H2