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

Systemtic Name: N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-(3-methoxypropyl)-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(3-methoxypropyl)-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6/c1-12-9-15(19-27-12)18-16(22)11-20(7-4-8-26-2)17(23)13-5-3-6-14(10-13)21(24)25/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,19,22)