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

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-11-5-6-14(12(2)7-11)21-20(26)22-18(24)10-31-19(25)13-8-16(29-3)17(30-4)9-15(13)23(27)28/h5-9H,10H2,1-4H3,(H2,21,22,24,26)