[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c1-10(2)6-7-16-15(21)17-13(19)9-24-14(20)11-4-3-5-12(8-11)18(22)23/h3-5,8,10H,6-7,9H2,1-2H3,(H2,16,17,19,21)