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2-nitro-5-(pentan-3-ylcarbamoyl)phenolate

2-nitro-5-(pentan-3-ylcarbamoyl)phenolate

Systemtic Name:2-nitro-5-(pentan-3-ylcarbamoyl)phenolate
Openeye Name:5-(1-ethylpropylcarbamoyl)-2-nitro-phenolate
CAS Name:2-nitro-5-[oxo-(pentan-3-ylamino)methyl]phenolate
IUPAC Name:2-nitro-5-(pentan-3-ylcarbamoyl)phenolate
Traditional Name:5-(1-ethylpropylcarbamoyl)-2-nitro-phenolate
Formula: C12H15N2O4-
MolecularWeight: 251.2585
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[O-]


Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[O-]


InChI

InChI=1S/C12H16N2O4/c1-3-9(4-2)13-12(16)8-5-6-10(14(17)18)11(15)7-8/h5-7,9,15H,3-4H2,1-2H3,(H,13,16)/p-1


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