(2-methoxy-5-nitro-phenyl)methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H21NO8 MolecularWeight: 427.40404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21NO8/c1-13-17-6-5-16(28-2)11-20(17)31-22(25)18(13)7-9-21(24)30-12-14-10-15(23(26)27)4-8-19(14)29-3/h4-6,8,10-11H,7,9,12H2,1-3H3