4-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-4-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C18H22N5O5+ MolecularWeight: 388.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c24-17(19-16-7-12-28-20-16)13-22(11-10-21-8-1-2-9-21)18(25)14-3-5-15(6-4-14)23(26)27/h3-7,12H,1-2,8-11,13H2,(H,19,20,24)/p+1