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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-8(2)13(14(21)19-16(17)23)26-15(22)9-3-6-11(18-10-4-5-10)12(7-9)20(24)25/h3,6-8,10,13,18H,4-5H2,1-2H3,(H3,17,19,21,23)