[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6/c1-8(2)6-16-14(21)17-12(19)7-24-13(20)10-4-3-9(18(22)23)5-11(10)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,17,19,21)