[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C20H22N4O7/c1-13(18(26)23-20(28)22-12-14-5-3-2-4-6-14)31-19(27)16-11-15(24(29)30)7-8-17(16)21-9-10-25/h2-8,11,13,21,25H,9-10,12H2,1H3,(H2,22,23,26,28)