methyl 3-[(4-tert-butylphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-tert-butylphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-tert-butylphenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylphenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-tert-butylbenzyl)-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)17-8-6-14(7-9-17)13-22(4)19(24)15-10-16(20(25)28-5)12-18(11-15)23(26)27/h6-12H,13H2,1-5H3