ethyl 4-[3-(4-morpholin-4-yl-3-nitro-phenyl)carbonylimino-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-morpholin-4-yl-3-nitro-phenyl)carbonylimino-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[1-(4-morpholino-3-nitro-benzoyl)iminoisoindolin-2-yl]benzoate CAS Name: 4-[3-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]imino-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-morpholin-4-yl-3-nitrobenzoyl)imino-1H-isoindol-2-yl]benzoate Traditional Name: 4-[1-(4-morpholino-3-nitro-benzoyl)iminoisoindolin-2-yl]benzoic acid ethyl ester Formula: C28H26N4O6 MolecularWeight: 514.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O6/c1-2-38-28(34)19-7-10-22(11-8-19)31-18-21-5-3-4-6-23(21)26(31)29-27(33)20-9-12-24(25(17-20)32(35)36)30-13-15-37-16-14-30/h3-12,17H,2,13-16,18H2,1H3