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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-29-19(26)11-3-2-4-12(9-11)20-16(23)7-8-21-17(24)14-6-5-13(22(27)28)10-15(14)18(21)25/h2-6,9-10H,7-8H2,1H3,(H,20,23)