N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-pyridinylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C22H15N5O8 MolecularWeight: 477.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC3=CC=CC=N3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC=N3)/NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O8/c28-21(14-9-15(26(30)31)11-16(10-14)27(32)33)24-17(22(29)25-20-3-1-2-6-23-20)7-13-4-5-18-19(8-13)35-12-34-18/h1-11H,12H2,(H,24,28)(H,23,25,29)/b17-7+