[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)NC2=C(C=C(C=C2)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)NC2=C(C=C(C=C2)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O8/c1-5-31-18-9-14(16(24(28)29)10-17(18)30-4)20(26)32-11-19(25)23-21(27)22-15-7-6-12(2)8-13(15)3/h6-10H,5,11H2,1-4H3,(H2,22,23,25,27)