4-tert-butyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-tert-butyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-tert-butyl-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-tert-butyl-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-tert-butyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-tert-butyl-N-[2-(2-furfurylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-18(2,3)14-7-6-12(9-15(14)21(24)25)17(23)20-11-16(22)19-10-13-5-4-8-26-13/h4-9H,10-11H2,1-3H3,(H,19,22)(H,20,23)