2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c1-19-14-7-6-11(10-15(14)21(25)26)18(24)27-9-8-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-7,10,19H,8-9H2,1H3