methyl 3-[1-(4-bromophenyl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(4-bromophenyl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(4-bromophenyl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(4-bromophenyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(4-bromophenyl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(4-bromophenyl)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5/c1-3-16(11-4-6-14(19)7-5-11)20-17(22)12-8-13(18(23)26-2)10-15(9-12)21(24)25/h4-10,16H,3H2,1-2H3,(H,20,22)