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

Systemtic Name: O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H19N3O8 MolecularWeight: 429.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O8/c1-11-4-5-16(12(2)6-11)21-20(27)22-17(24)10-31-19(26)14-7-13(18(25)30-3)8-15(9-14)23(28)29/h4-9H,10H2,1-3H3,(H2,21,22,24,27)