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2-[3-(azepan-2-ylidene)-3-nitro-2-oxidanylidene-propyl]isoindole-1,3-dione

2-[3-(azepan-2-ylidene)-3-nitro-2-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name:2-[3-(azepan-2-ylidene)-3-nitro-2-oxidanylidene-propyl]isoindole-1,3-dione
Openeye Name:2-[3-(azepan-2-ylidene)-3-nitro-2-oxo-propyl]isoindoline-1,3-dione
CAS Name:2-[3-(2-azepanylidene)-3-nitro-2-oxopropyl]isoindole-1,3-dione
IUPAC Name:2-[3-(azepan-2-ylidene)-3-nitro-2-oxopropyl]isoindole-1,3-dione
Traditional Name:2-[3-(azepan-2-ylidene)-2-keto-3-nitro-propyl]isoindoline-1,3-quinone
Formula: C17H17N3O5
MolecularWeight: 343.33398
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C(=O)CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])NCC1


Isomeric SMILES

C1CCC(=C(C(=O)CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])NCC1


InChI

InChI=1S/C17H17N3O5/c21-14(15(20(24)25)13-8-2-1-5-9-18-13)10-19-16(22)11-6-3-4-7-12(11)17(19)23/h3-4,6-7,18H,1-2,5,8-10H2


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