methyl 3-(6-methylheptan-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(6-methylheptan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,5-dimethylhexylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(6-methylheptan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(6-methylheptan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,5-dimethylhexylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-11(2)6-5-7-12(3)18-16(20)13-8-14(17(21)24-4)10-15(9-13)19(22)23/h8-12H,5-7H2,1-4H3,(H,18,20)