ethyl 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-nitro-benzoate Openeye Name: ethyl 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-nitro-benzoate CAS Name: 3-[(2-ethyl-3-methyl-1-oxobutyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-ethyl-3-methylbutanoyl)amino]-4-nitrobenzoate Traditional Name: 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-nitro-benzoic acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)C(=O)NC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C)C)C(=O)NC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-5-12(10(3)4)15(19)17-13-9-11(16(20)23-6-2)7-8-14(13)18(21)22/h7-10,12H,5-6H2,1-4H3,(H,17,19)