(2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanamide Openeye Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]propionamide Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C15H17N3O6/c1-3-16-15(20)9(2)17-14(19)5-4-10-6-12-13(24-8-23-12)7-11(10)18(21)22/h4-7,9H,3,8H2,1-2H3,(H,16,20)(H,17,19)/b5-4+/t9-/m0/s1