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

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-3-nitro-benzamide Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=NOC(=C1)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=NOC(=C1)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-3-4-5-9-21(12-17(23)19-16-10-13(2)27-20-16)18(24)14-7-6-8-15(11-14)22(25)26/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,19,20,23)