methyl 3-nitro-4-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethoxy]benzoate Openeye Name: methyl 4-[2-(N-benzylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-(N-(phenylmethyl)anilino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(N-benzylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(N-benzylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6/c1-30-23(27)18-12-13-21(20(14-18)25(28)29)31-16-22(26)24(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3