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

Systemtic Name: methyl 3-[[2-(butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[butylamino(oxo)methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(butylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O6/c1-3-4-9-21-19(25)16-7-5-6-8-17(16)22-18(24)13-10-14(20(26)29-2)12-15(11-13)23(27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,25)(H,22,24)