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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-21-16-9-8-13(12-17(16)23(27)28)20(26)29-11-5-4-10-22-18(24)14-6-2-3-7-15(14)19(22)25/h2-3,6-9,12,21H,4-5,10-11H2,1H3