N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine Openeye Name: N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine CAS Name: N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(3-nitrobenzyl)amine Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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