methyl 3-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H16ClN3O7 MolecularWeight: 421.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O7/c1-10-5-14(3-4-15(10)19)29-9-16(23)20-21-17(24)11-6-12(18(25)28-2)8-13(7-11)22(26)27/h3-8H,9H2,1-2H3,(H,20,23)(H,21,24)