(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H19ClN2O7 MolecularWeight: 506.89126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C26H19ClN2O7/c1-14-7-9-18-16(11-23(30)36-24(18)15(14)2)13-35-26(32)20-5-3-4-6-22(20)28-25(31)19-10-8-17(29(33)34)12-21(19)27/h3-12H,13H2,1-2H3,(H,28,31)