ethyl 4-nitro-3-[2-(phenylmethyl)butanoylamino]benzoate

Systemtic Name: ethyl 4-nitro-3-[2-(phenylmethyl)butanoylamino]benzoate Openeye Name: ethyl 3-(2-benzylbutanoylamino)-4-nitro-benzoate CAS Name: 4-nitro-3-[[1-oxo-2-(phenylmethyl)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzylbutanoylamino)-4-nitrobenzoate Traditional Name: 3-(2-benzylbutanoylamino)-4-nitro-benzoic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-3-15(12-14-8-6-5-7-9-14)19(23)21-17-13-16(20(24)27-4-2)10-11-18(17)22(25)26/h5-11,13,15H,3-4,12H2,1-2H3,(H,21,23)