N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2,4-dinitro-aniline CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]amine Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-3-26-17-7-12-6-11(2)27-18(12)8-13(17)10-19-15-5-4-14(20(22)23)9-16(15)21(24)25/h4-5,7-9,11,19H,3,6,10H2,1-2H3/t11-/m0/s1