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

Systemtic Name: [2-methoxy-4-(2-phenylethenyl)phenyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-methoxy-4-styryl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-methoxy-4-(2-phenylethenyl)phenyl] ester IUPAC Name: [2-methoxy-4-(2-phenylethenyl)phenyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2-methoxy-4-styryl-phenyl) ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=CC=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=CC=CC=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-34-22-16-18(11-10-17-6-3-2-4-7-17)12-13-21(22)35-23(29)14-15-27-25(30)19-8-5-9-20(28(32)33)24(19)26(27)31/h2-13,16H,14-15H2,1H3