methyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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