3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]-4-pyrrolidino-benzamide Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23N5O6/c23-21(29)14-5-7-17(25-9-1-2-10-25)16(12-14)24-20(28)4-3-11-26-18-8-6-15(27(31)32)13-19(18)33-22(26)30/h5-8,12-13H,1-4,9-11H2,(H2,23,29)(H,24,28)