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

Systemtic Name: ethyl 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]amino]-3-nitro-benzoate Openeye Name: ethyl 4-[(5-bromo-1,3-dioxo-isoindolin-2-yl)amino]-3-nitro-benzoate CAS Name: 4-[(5-bromo-1,3-dioxo-2-isoindolyl)amino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-1,3-dioxoisoindol-2-yl)amino]-3-nitrobenzoate Traditional Name: 4-[(5-bromo-1,3-diketo-isoindolin-2-yl)amino]-3-nitro-benzoic acid ethyl ester Formula: C17H12BrN3O6 MolecularWeight: 434.19768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O6/c1-2-27-17(24)9-3-6-13(14(7-9)21(25)26)19-20-15(22)11-5-4-10(18)8-12(11)16(20)23/h3-8,19H,2H2,1H3