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

Systemtic Name: methyl 3-[[2-(4-ethylphenoxy)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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