4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]butanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]butanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O5/c27-21(23-17-10-12-24(15-17)14-16-5-2-1-3-6-16)7-4-11-25-19-9-8-18(26(29)30)13-20(19)31-22(25)28/h1-3,5-6,8-9,13,17H,4,7,10-12,14-15H2,(H,23,27)