(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8/c1-12-7-13(3-6-17(12)23(27)28)21(26)22-10-20(25)30-11-14-8-19(24)31-18-9-15(29-2)4-5-16(14)18/h3-9H,10-11H2,1-2H3,(H,22,26)