methyl 4-[[(2-methoxy-4-oxidanyl-phenyl)-[(4-nitrophenyl)methyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-methoxy-4-oxidanyl-phenyl)-[(4-nitrophenyl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzoate CAS Name: 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-hydroxy-2-methoxy-N-[(4-nitrophenyl)methyl]anilino]methyl]benzoate Traditional Name: 4-[(4-hydroxy-2-methoxy-N-(4-nitrobenzyl)anilino)methyl]benzoic acid methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-30-22-13-20(26)11-12-21(22)24(15-17-5-9-19(10-6-17)25(28)29)14-16-3-7-18(8-4-16)23(27)31-2/h3-13,26H,14-15H2,1-2H3