methyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,4-dimethylpentylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(5-methylhexan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(5-methylhexan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,4-dimethylpentylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-10(2)5-6-11(3)17-15(19)12-7-13(16(20)23-4)9-14(8-12)18(21)22/h7-11H,5-6H2,1-4H3,(H,17,19)