ethyl 3-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methyl-5-(1-oxopropylamino)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-5-propionamido-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H21N3O6/c1-4-18(24)21-15-7-6-12(3)17(11-15)22-19(25)13-8-14(20(26)29-5-2)10-16(9-13)23(27)28/h6-11H,4-5H2,1-3H3,(H,21,24)(H,22,25)