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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid phthalimidomethyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-18-13-7-6-10(8-14(13)20(24)25)17(23)26-9-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-8,18H,9H2,1H3