[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O6/c1-4-17-10-6-5-9(7-11(10)19(23)24)14(21)25-12(8(2)3)13(20)18-15(16)22/h5-8,12,17H,4H2,1-3H3,(H3,16,18,20,22)/t12-/m1/s1