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

Systemtic Name: ethyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: ethyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid ethyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-2-27-18(24)11-3-5-12(6-4-11)19-10-20-16(22)14-8-7-13(21(25)26)9-15(14)17(20)23/h3-9,19H,2,10H2,1H3