3-[4-(3-methylpiperidin-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-(3-methylpiperidin-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-(3-methyl-1-piperidyl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(3-methyl-1-piperidinyl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(3-methylpiperidino)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1CCCN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C17H21N3O5/c1-12-4-2-8-18(11-12)16(21)5-3-9-19-14-7-6-13(20(23)24)10-15(14)25-17(19)22/h6-7,10,12H,2-5,8-9,11H2,1H3