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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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