4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]benzamide Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c18-17(22)10-1-4-12(5-2-10)19-16(21)6-3-11-7-14-15(26-9-25-14)8-13(11)20(23)24/h1-8H,9H2,(H2,18,22)(H,19,21)/b6-3+