N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-3-yl-methanamine

Systemtic Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-(3-pyridyl)methanamine CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-(3-pyridinyl)methanamine IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-3-ylmethanamine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)amine Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c18-17(19)12-5-14-13(20-9-21-14)4-11(12)8-16-7-10-2-1-3-15-6-10/h1-6,16H,7-9H2