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

Systemtic Name: 3-methylbutyl 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: isopentyl 4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]benzoic acid isoamyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O7/c1-14(2)11-13-33-23(30)15-6-8-16(9-7-15)24-19(27)10-12-25-21(28)17-4-3-5-18(26(31)32)20(17)22(25)29/h3-9,14H,10-13H2,1-2H3,(H,24,27)