[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O8/c1-4-31-18-10-15(16(24(28)29)11-17(18)30-3)20(26)32-13(2)19(25)23-21(27)22-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H2,22,23,25,27)