1-[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine

Systemtic Name: 1-[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine CAS Name: 1-[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine Traditional Name: benzyl-[[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2)[N+](=O)[O-])CNCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](OC2=C(O1)C=CC(=C2)[N+](=O)[O-])CNCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O4/c19-18(20)13-6-7-15-16(8-13)22-14(11-21-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17H,9-11H2/t14-/m0/s1