[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H21N3O8 MolecularWeight: 383.35324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O8/c1-5-26-12-7-10(19(23)24)9(6-11(12)25-4)15(21)27-13(8(2)3)14(20)18-16(17)22/h6-8,13H,5H2,1-4H3,(H3,17,18,20,22)