[2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-butyl)amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[(1-carbomethoxy-2-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-4-10(2)14(16(21)24-3)17-13(19)9-25-15(20)11-7-5-6-8-12(11)18(22)23/h5-8,10,14H,4,9H2,1-3H3,(H,17,19)