N-[3,4-dinitro-5-phenoxy-2-(prop-2-enoylamino)phenyl]prop-2-enamide

Systemtic Name: N-[3,4-dinitro-5-phenoxy-2-(prop-2-enoylamino)phenyl]prop-2-enamide Openeye Name: N-[3,4-dinitro-5-phenoxy-2-(prop-2-enoylamino)phenyl]prop-2-enamide CAS Name: N-[3,4-dinitro-2-(1-oxoprop-2-enylamino)-5-phenoxyphenyl]-2-propenamide IUPAC Name: N-[3,4-dinitro-5-phenoxy-2-(prop-2-enoylamino)phenyl]prop-2-enamide Traditional Name: N-(2-acrylamido-3,4-dinitro-5-phenoxy-phenyl)acrylamide Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC(=C(C(=C1NC(=O)C=C)[N+](=O)[O-])[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

C=CC(=O)NC1=CC(=C(C(=C1NC(=O)C=C)[N+](=O)[O-])[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C18H14N4O7/c1-3-14(23)19-12-10-13(29-11-8-6-5-7-9-11)17(21(25)26)18(22(27)28)16(12)20-15(24)4-2/h3-10H,1-2H2,(H,19,23)(H,20,24)