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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-nitro-aniline Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-nitro-aniline CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-nitroaniline IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-nitroaniline Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(2-nitrophenyl)amine Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-3-23-17-9-13-8-12(2)24-18(13)10-14(17)11-19-15-6-4-5-7-16(15)20(21)22/h4-7,9-10,12,19H,3,8,11H2,1-2H3/t12-/m0/s1