methyl 3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[diethylamino(oxo)methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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