[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C16H21N3O6/c1-10(2)7-8-17-16(22)18-14(20)9-25-15(21)12-5-4-6-13(11(12)3)19(23)24/h4-6,10H,7-9H2,1-3H3,(H2,17,18,20,22)