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4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]phenolate

4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]phenolate

Systemtic Name:4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]phenolate
Openeye Name:4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]phenolate
CAS Name:4-nitro-2-[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]methyl]phenolate
IUPAC Name:4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]phenolate
Traditional Name:4-nitro-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]phenolate
Formula: C17H17N2O4S-
MolecularWeight: 345.39288
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]


Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]


InChI

InChI=1S/C17H18N2O4S/c20-14-7-6-13(19(22)23)8-12(14)10-18-17(21)16-9-11-4-2-1-3-5-15(11)24-16/h6-9,20H,1-5,10H2,(H,18,21)/p-1


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