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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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