N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dinitro-aniline

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dinitro-aniline Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-2,4-dinitro-aniline CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-2,4-dinitroaniline IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dinitroaniline Traditional Name: coumaran-2-ylmethyl-(2,4-dinitrophenyl)amine Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C21)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C21)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5/c19-17(20)11-5-6-13(14(8-11)18(21)22)16-9-12-7-10-3-1-2-4-15(10)23-12/h1-6,8,12,16H,7,9H2