methyl 3-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19N3O7/c1-11-5-4-6-12(2)17(11)29-10-16(23)20-21-18(24)13-7-14(19(25)28-3)9-15(8-13)22(26)27/h4-9H,10H2,1-3H3,(H,20,23)(H,21,24)