4-(butanoylamino)-3-methyl-5-nitro-benzoic acid

Systemtic Name: 4-(butanoylamino)-3-methyl-5-nitro-benzoic acid Openeye Name: 4-(butanoylamino)-3-methyl-5-nitro-benzoic acid CAS Name: 3-methyl-5-nitro-4-(1-oxobutylamino)benzoic acid IUPAC Name: 4-(butanoylamino)-3-methyl-5-nitrobenzoic acid Traditional Name: 4-butyramido-3-methyl-5-nitro-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-3-4-10(15)13-11-7(2)5-8(12(16)17)6-9(11)14(18)19/h5-6H,3-4H2,1-2H3,(H,13,15)(H,16,17)