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2-[(3S)-1-nitroso-2-oxidanylidene-azepan-3-yl]isoindole-1,3-dione

2-[(3S)-1-nitroso-2-oxidanylidene-azepan-3-yl]isoindole-1,3-dione

Systemtic Name:2-[(3S)-1-nitroso-2-oxidanylidene-azepan-3-yl]isoindole-1,3-dione
Openeye Name:2-[(3S)-1-nitroso-2-oxo-azepan-3-yl]isoindoline-1,3-dione
CAS Name:2-[(3S)-1-nitroso-2-oxo-3-azepanyl]isoindole-1,3-dione
IUPAC Name:2-[(3S)-1-nitroso-2-oxoazepan-3-yl]isoindole-1,3-dione
Traditional Name:2-[(3S)-2-keto-1-nitroso-azepan-3-yl]isoindoline-1,3-quinone
Formula: C14H13N3O4
MolecularWeight: 287.27072
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N2C(=O)C3=CC=CC=C3C2=O)N=O


Isomeric SMILES

C1CCN(C(=O)[C@H](C1)N2C(=O)C3=CC=CC=C3C2=O)N=O


InChI

InChI=1S/C14H13N3O4/c18-12-9-5-1-2-6-10(9)13(19)17(12)11-7-3-4-8-16(15-21)14(11)20/h1-2,5-6,11H,3-4,7-8H2/t11-/m0/s1


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