[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-benzyl-3-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-15-6-5-9-17(12-15)22(13-16-7-3-2-4-8-16)19(24)14-28-21(25)18-10-11-20(29-18)23(26)27/h2-12H,13-14H2,1H3