4-(2-bromophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate

Systemtic Name: 4-(2-bromophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate Openeye Name: 4-(2-bromophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate CAS Name: 4-(2-bromophenyl)-3-methylbutanamide; 4-nitrobenzoic acid ethyl ester IUPAC Name: 4-(2-bromophenyl)-3-methylbutanamide; ethyl 4-nitrobenzoate Traditional Name: 4-(2-bromophenyl)-3-methyl-butyramide; 4-nitrobenzoic acid ethyl ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(CC1=CC=CC=C1Br)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(CC1=CC=CC=C1Br)CC(=O)N

InChI

InChI=1S/C11H14BrNO.C9H9NO4/c1-8(7-11(13)14)6-9-4-2-3-5-10(9)12;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h2-5,8H,6-7H2,1H3,(H2,13,14);3-6H,2H2,1H3