methyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate Openeye Name: methyl 3-(1-ethylpropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(pentan-3-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(pentan-3-ylcarbamoyl)benzoate Traditional Name: 3-(1-ethylpropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-11(5-2)15-13(17)9-6-10(14(18)21-3)8-12(7-9)16(19)20/h6-8,11H,4-5H2,1-3H3,(H,15,17)