[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O7/c26-19(23-21(28)22-13-15-4-2-1-3-5-15)14-32-20(27)17-12-16(25(29)30)6-7-18(17)24-8-10-31-11-9-24/h1-7,12H,8-11,13-14H2,(H2,22,23,26,28)