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

Systemtic Name: (2S)-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide Openeye Name: (2S)-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]-N-propyl-propionamide Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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