methyl 3-methyl-5-nitro-4-(pentanoylamino)benzoate

Systemtic Name: methyl 3-methyl-5-nitro-4-(pentanoylamino)benzoate Openeye Name: methyl 3-methyl-5-nitro-4-(pentanoylamino)benzoate CAS Name: 3-methyl-5-nitro-4-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-5-nitro-4-(pentanoylamino)benzoate Traditional Name: 3-methyl-5-nitro-4-(valerylamino)benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C14H18N2O5/c1-4-5-6-12(17)15-13-9(2)7-10(14(18)21-3)8-11(13)16(19)20/h7-8H,4-6H2,1-3H3,(H,15,17)