N-[2,2-dimethyl-7-(2-nitropyrrolidin-1-yl)-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide hydrochloride

Systemtic Name: N-[2,2-dimethyl-7-(2-nitropyrrolidin-1-yl)-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide hydrochloride Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-(2-nitropyrrolidin-1-yl)chroman-6-yl]acetamide hydrochloride CAS Name: N-[3-hydroxy-2,2-dimethyl-7-(2-nitro-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide hydrochloride IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-(2-nitropyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]acetamide hydrochloride Traditional Name: N-[3-hydroxy-2,2-dimethyl-7-(2-nitropyrrolidino)chroman-6-yl]acetamide hydrochloride Formula: C17H24ClN3O5 MolecularWeight: 385.84256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)CC(C(O2)(C)C)O)N3CCCC3[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)CC(C(O2)(C)C)O)N3CCCC3[N+](=O)[O-].Cl

InChI

InChI=1S/C17H23N3O5.ClH/c1-10(21)18-12-7-11-8-15(22)17(2,3)25-14(11)9-13(12)19-6-4-5-16(19)20(23)24;/h7,9,15-16,22H,4-6,8H2,1-3H3,(H,18,21);1H