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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitroaniline Traditional Name: (4-nitrophenyl)-piperonyl-amine Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/c17-16(18)12-4-2-11(3-5-12)15-8-10-1-6-13-14(7-10)20-9-19-13/h1-7,15H,8-9H2