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

Systemtic Name: 3-[4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[2-(1H-benzimidazol-2-yl)pyrrolidino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5O5/c28-20(25-11-3-7-18(25)21-23-15-5-1-2-6-16(15)24-21)8-4-12-26-17-10-9-14(27(30)31)13-19(17)32-22(26)29/h1-2,5-6,9-10,13,18H,3-4,7-8,11-12H2,(H,23,24)