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

Systemtic Name: 4-chloranyl-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-chloro-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-chloro-N-[2-(3-isoxazolylamino)-2-oxoethyl]-3-nitro-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-chloro-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-3-nitro-N-(2-pyrrolidinoethyl)benzamide Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O5/c19-14-4-3-13(11-15(14)24(27)28)18(26)23(9-8-22-6-1-2-7-22)12-17(25)20-16-5-10-29-21-16/h3-5,10-11H,1-2,6-9,12H2,(H,20,21,25)