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

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6/c1-12-5-7-16(13(2)9-12)21-20(27)22-18(25)11-30-19(26)15-10-14(24(28)29)6-8-17(15)23(3)4/h5-10H,11H2,1-4H3,(H2,21,22,25,27)