[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichloroanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(2,4-dichloroanilino)-2-keto-ethyl] ester Formula: C19H13Cl2N3O7 MolecularWeight: 466.22842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H13Cl2N3O7/c20-10-4-5-13(12(21)8-10)22-15(25)9-31-16(26)6-7-23-18(27)11-2-1-3-14(24(29)30)17(11)19(23)28/h1-5,8H,6-7,9H2,(H,22,25)