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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitro-pyridin-2-amine Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitro-pyridin-2-amine CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitro-2-pyridinamine IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitropyridin-2-amine Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(3-nitro-2-pyridyl)amine Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-3-23-15-8-12-7-11(2)24-16(12)9-13(15)10-19-17-14(20(21)22)5-4-6-18-17/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,18,19)/t11-/m0/s1