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

Systemtic Name: ethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[4-(methylcarbamoyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

InChI

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