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

Systemtic Name: methyl 4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7/c1-28-18(25)10-2-4-11(5-3-10)19-15(22)9-20-16(23)13-7-6-12(21(26)27)8-14(13)17(20)24/h2-8H,9H2,1H3,(H,19,22)