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

Systemtic Name: 4-methyl-3-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: 4-methyl-3-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoate IUPAC Name: 4-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]-4-methyl-benzoate Formula: C19H14N3O7- MolecularWeight: 396.33036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

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