O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2=C(C=C(C=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2=C(C=C(C=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8/c1-4-31-19(26)14-8-15(10-16(9-14)24(29)30)20(27)32-11-18(25)23-21(28)22-17-6-5-12(2)7-13(17)3/h5-10H,4,11H2,1-3H3,(H2,22,23,25,28)