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

Systemtic Name: 3-[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[3-(1,3-benzoxazol-2-yl)piperidino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O6/c28-21(8-4-12-26-18-10-9-16(27(30)31)13-20(18)33-23(26)29)25-11-3-5-15(14-25)22-24-17-6-1-2-7-19(17)32-22/h1-2,6-7,9-10,13,15H,3-5,8,11-12,14H2