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

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

Systemtic Name:2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate
Openeye Name:2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate
CAS Name:2-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoate
IUPAC Name:2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
Traditional Name:2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]benzoate
Formula: C18H12N3O7-
MolecularWeight: 382.30378
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H13N3O7/c22-15(19-14-4-2-1-3-12(14)18(25)26)7-8-20-16(23)11-6-5-10(21(27)28)9-13(11)17(20)24/h1-6,9H,7-8H2,(H,19,22)(H,25,26)/p-1


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