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

Systemtic Name: methyl 4-methyl-3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-10-3-4-11(19(26)29-2)7-15(10)20-16(23)9-21-17(24)13-6-5-12(22(27)28)8-14(13)18(21)25/h3-8H,9H2,1-2H3,(H,20,23)