N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-4-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C19H24N5O5+ MolecularWeight: 402.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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