ethyl 3-[butan-2-yl-(phenylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[butan-2-yl-(phenylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[benzyl(sec-butyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[butan-2-yl-(phenylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(butan-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[benzyl(sec-butyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

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