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

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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