(2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanamide Openeye Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]propionamide Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6/c1-3-17-16(21)10(2)18-14(20)5-4-11-6-13(19(22)23)7-12-8-24-9-25-15(11)12/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,20)/b5-4+/t10-/m0/s1