[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[benzyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-16-12-18(9-10-20(16)24(27)28)22(26)30-15-21(25)23(14-19-8-5-11-29-19)13-17-6-3-2-4-7-17/h2-12H,13-15H2,1H3