methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-ethoxy-4-methoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O8/c1-4-31-18-9-12(5-8-17(18)29-2)16(11-19(24)30-3)22-20(25)14-7-6-13(23(27)28)10-15(14)21(22)26/h5-10,16H,4,11H2,1-3H3