2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methyl-3,5-dinitro-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methyl-3,5-dinitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid 2-phthalimidoethyl ester Formula: C18H13N3O8 MolecularWeight: 399.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O8/c1-10-14(20(25)26)8-11(9-15(10)21(27)28)18(24)29-7-6-19-16(22)12-4-2-3-5-13(12)17(19)23/h2-5,8-9H,6-7H2,1H3