(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C26H18ClN3O8 MolecularWeight: 535.88942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H18ClN3O8/c1-14(31)28-16-6-8-18-15(10-24(32)38-23(18)11-16)13-37-26(34)20-4-2-3-5-22(20)29-25(33)19-9-7-17(30(35)36)12-21(19)27/h2-12H,13H2,1H3,(H,28,31)(H,29,33)