[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (4E)-4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H24N4O6 MolecularWeight: 500.50266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=C2CCC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H24N4O6/c1-2-13-28-27(34)30-23(32)16-37-26(33)24-20-10-3-4-12-22(20)29-25-18(8-6-11-21(24)25)14-17-7-5-9-19(15-17)31(35)36/h2-5,7,9-10,12,14-15H,1,6,8,11,13,16H2,(H2,28,30,32,34)/b18-14+