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

Systemtic Name: methyl 4-(butanoylamino)-3-methyl-5-nitro-benzoate Openeye Name: methyl 4-(butanoylamino)-3-methyl-5-nitro-benzoate CAS Name: 3-methyl-5-nitro-4-(1-oxobutylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate Traditional Name: 4-butyramido-3-methyl-5-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)