N-[1,2-diphenyl-2-(prop-2-enylcarbamoylamino)ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[1,2-diphenyl-2-(prop-2-enylcarbamoylamino)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(allylcarbamoylamino)-1,2-diphenyl-ethyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[2-[[oxo-(prop-2-enylamino)methyl]amino]-1,2-diphenylethyl]benzamide IUPAC Name: N-[1,2-diphenyl-2-(prop-2-enylcarbamoylamino)ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(allylcarbamoylamino)-1,2-diphenyl-ethyl]-3,5-dinitro-benzamide Formula: C25H23N5O6 MolecularWeight: 489.48002

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O6/c1-2-13-26-25(32)28-23(18-11-7-4-8-12-18)22(17-9-5-3-6-10-17)27-24(31)19-14-20(29(33)34)16-21(15-19)30(35)36/h2-12,14-16,22-23H,1,13H2,(H,27,31)(H2,26,28,32)