[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H17ClN4O7 MolecularWeight: 460.82458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O7/c1-2-9-22-20(29)24-17(26)11-32-19(28)14-5-3-4-6-16(14)23-18(27)13-8-7-12(25(30)31)10-15(13)21/h2-8,10H,1,9,11H2,(H,23,27)(H2,22,24,26,29)