methyl 3-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1-methoxycarbonyl-3-methyl-butyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-carbomethoxy-3-methyl-butyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-9(2)5-13(16(21)25-4)17-14(19)10-6-11(15(20)24-3)8-12(7-10)18(22)23/h6-9,13H,5H2,1-4H3,(H,17,19)