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

Systemtic Name: methyl 4-chloranyl-3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C18H12ClN3O7 MolecularWeight: 417.75678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O7/c1-29-18(26)9-5-6-11(19)12(7-9)20-14(23)8-21-16(24)10-3-2-4-13(22(27)28)15(10)17(21)25/h2-7H,8H2,1H3,(H,20,23)