N-tert-butyl-N-[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-tert-butyl-N-[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-tert-butyl-N-[2-[2-furylmethyl(phenethyl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-tert-butyl-N-[2-[2-furanylmethyl(phenethyl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-tert-butyl-N-[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-tert-butyl-N-[2-[2-furfuryl(phenethyl)amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O5/c1-20-12-13-22(17-24(20)30(33)34)26(32)29(27(2,3)4)19-25(31)28(18-23-11-8-16-35-23)15-14-21-9-6-5-7-10-21/h5-13,16-17H,14-15,18-19H2,1-4H3