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

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-5-nitro-benzonitrile Formula: C19H19N3O4 MolecularWeight: 353.37186

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-3-25-18-8-13-6-12(2)26-19(13)9-15(18)11-21-17-5-4-16(22(23)24)7-14(17)10-20/h4-5,7-9,12,21H,3,6,11H2,1-2H3/t12-/m0/s1