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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c24-18-14-3-1-2-4-15(14)19(25)22(18)9-10-29-20(26)12-5-8-16(21-13-6-7-13)17(11-12)23(27)28/h1-5,8,11,13,21H,6-7,9-10H2