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

Systemtic Name: 4-methyl-3-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-methyl-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-4-methyl-3-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methyl-3-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-methyl-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C19H24N5O5+ MolecularWeight: 402.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5/c1-14-4-5-15(12-16(14)24(27)28)19(26)23(10-9-22-7-2-3-8-22)13-18(25)20-17-6-11-29-21-17/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,20,21,25)/p+1