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

Systemtic Name: methyl 2-methyl-3-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 2-methyl-3-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-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]-2-methyl-benzoic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17N3O7/c1-11-13(20(27)30-2)4-3-5-16(11)21-17(24)8-9-22-18(25)14-7-6-12(23(28)29)10-15(14)19(22)26/h3-7,10H,8-9H2,1-2H3,(H,21,24)