phenyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate

Systemtic Name: phenyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: phenyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid phenyl ester Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6/c26-20-18-11-10-16(25(29)30)12-19(18)21(27)24(20)13-23-15-8-6-14(7-9-15)22(28)31-17-4-2-1-3-5-17/h1-12,23H,13H2