[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H19ClN4O6 MolecularWeight: 446.84106

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H19ClN4O6/c1-2-9-22-20(28)24-18(26)12-31-19(27)15-10-14(25(29)30)7-8-17(15)23-11-13-5-3-4-6-16(13)21/h2-8,10,23H,1,9,11-12H2,(H2,22,24,26,28)