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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6/c1-7(2)11(12(19)17-14(15)21)24-13(20)8-4-5-9(16-3)10(6-8)18(22)23/h4-7,11,16H,1-3H3,(H3,15,17,19,21)