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2-nitro-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxylic acid

2-nitro-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxylic acid

Systemtic Name:2-nitro-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxylic acid
Openeye Name:2-nitro-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
CAS Name:2-nitro-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
IUPAC Name:2-nitro-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
Traditional Name:4-keto-2-nitro-1,5,6,7-tetrahydroindole-3-carboxylic acid
Formula: C9H8N2O5
MolecularWeight: 224.17022
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(N2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(N2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C9H8N2O5/c12-5-3-1-2-4-6(5)7(9(13)14)8(10-4)11(15)16/h10H,1-3H2,(H,13,14)


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