2-(3-chlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine

Systemtic Name: 2-(3-chlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Openeye Name: 2-(3-chlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine CAS Name: 2-(3-chlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine IUPAC Name: 2-(3-chlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Traditional Name: 2-(3-chlorophenyl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O4/c17-13-3-1-2-11(6-13)4-5-18-9-12-7-15-16(23-10-22-15)8-14(12)19(20)21/h1-3,6-8,18H,4-5,9-10H2