2,3-dihydro-1-benzofuran-2-yl-(3,4-dimethyl-5-nitro-phenyl)methanamine

Systemtic Name: 2,3-dihydro-1-benzofuran-2-yl-(3,4-dimethyl-5-nitro-phenyl)methanamine Openeye Name: 2,3-dihydrobenzofuran-2-yl-(3,4-dimethyl-5-nitro-phenyl)methanamine CAS Name: 2,3-dihydrobenzofuran-2-yl-(3,4-dimethyl-5-nitrophenyl)methanamine IUPAC Name: 2,3-dihydro-1-benzofuran-2-yl-(3,4-dimethyl-5-nitrophenyl)methanamine Traditional Name: [coumaran-2-yl-(3,4-dimethyl-5-nitro-phenyl)methyl]amine Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-10-7-13(8-14(11(10)2)19(20)21)17(18)16-9-12-5-3-4-6-15(12)22-16/h3-8,16-17H,9,18H2,1-2H3