[(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(2-methyl-5-nitro-phenyl)methyl]azanium

Systemtic Name: [(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(2-methyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-[(2R)-2,3-dihydrobenzofuran-2-yl]-(2-methyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-[(2R)-2,3-dihydrobenzofuran-2-yl]-(2-methyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(2-methyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-[(2R)-coumaran-2-yl]-(2-methyl-5-nitro-phenyl)methyl]ammonium Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2CC3=CC=CC=C3O2)[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H]([C@H]2CC3=CC=CC=C3O2)[NH3+]

InChI

InChI=1S/C16H16N2O3/c1-10-6-7-12(18(19)20)9-13(10)16(17)15-8-11-4-2-3-5-14(11)21-15/h2-7,9,15-16H,8,17H2,1H3/p+1/t15-,16+/m1/s1