(3S,4R)-4-(2-azanylidenepyrrolidin-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-4-(2-azanylidenepyrrolidin-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-4-(2-iminopyrrolidin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-ol CAS Name: (3S,4R)-4-(2-imino-1-pyrrolidinyl)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-4-(2-iminopyrrolidin-1-yl)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-4-(2-iminopyrrolidino)-2,2-dimethyl-6-nitro-chroman-3-ol Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCC3=N)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCC3=N)O)C

InChI

InChI=1S/C15H19N3O4/c1-15(2)14(19)13(17-7-3-4-12(17)16)10-8-9(18(20)21)5-6-11(10)22-15/h5-6,8,13-14,16,19H,3-4,7H2,1-2H3/t13-,14+/m1/s1