methyl 4-[5-[[2-[(4-nitrophenyl)amino]ethylamino]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[2-[(4-nitrophenyl)amino]ethylamino]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[[2-(4-nitroanilino)ethylamino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[2-(4-nitroanilino)ethylamino]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[2-(4-nitroanilino)ethylamino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[2-(4-nitroanilino)ethylamino]methyl]-2-furyl]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-28-21(25)16-4-2-15(3-5-16)20-11-10-19(29-20)14-22-12-13-23-17-6-8-18(9-7-17)24(26)27/h2-11,22-23H,12-14H2,1H3